SCHEMBL4083653

SCHEMBL4083653

Cc1ccc(C(=O)c2cccc(Br)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LMNA P02545 1/20 0.50
GRM5 P41594 1/20 0.48
RAB9A P51151 3/20 0.45
HTT P42858 2/20 0.45
SRD5A2 P31213 1/20 0.44
MAPT P10636 3/20 0.44
AKR1C3 P42330 1/20 0.42
HPGD P15428 2/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
NPC1 O15118 3/20 0.41
MAPK1 P28482 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
GSK3B P49841 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9828649 0.84 KMT2A (0.53) ALDH1A1GRM5RAB9AHTTSRD5A2
SCHEMBL10796499 0.83 CNR2 (0.55) ALDH1A1GRM5SRD5A2HPGDCES2
SCHEMBL1873600 0.83 HSD17B14 (0.49) ALDH1A1GRM5HTTHPGDCES2
SCHEMBL9827481 0.82 KMT2A (0.56) ALDH1A1LMNARAB9AHTTMAPT
SCHEMBL960010 0.81 ALDH1A1 (0.51) ALDH1A1LMNAGRM5MAPTHPGD
Toluene SCHEMBL28081324 0.80 AKR1C3 (0.47) ALDH1A1LMNARAB9AHTTSRD5A2
SCHEMBL10366443 0.79 ALDH1A1 (0.50) ALDH1A1LMNARAB9AHTTSRD5A2
SCHEMBL13932169 0.79 KDM4E (0.50) ALDH1A1GRM5MAPTHPGDPTGS1
SCHEMBL9828051 0.79 SRD5A2 (0.49) ALDH1A1LMNARAB9ASRD5A2MAPT
SCHEMBL23564314 0.76 PARP1 (0.50) ALDH1A1GRM5RAB9AHTTMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742707-A4 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION INC (US) 2009-08-05 EP disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
EP-1443929-A4 TREATMENT OF CNS DISORDERS USING CNS TARGET MODULATORS HYPNION INC (US) 2008-02-06 EP disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7317026-B2 Sleep disorders; side effect reduction ; antihistamine antagonist HYPNION, INC. (US) 2008-01-08 US disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed
US-7189757-B2 Treatment of sleep disorders using CNS target modulators HYPNION, INC. (US) 2007-03-13 US disclosed
EP-0249950-B1 AROMATIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-06-19 EP disclosed
EP-0133534-B1 PYRIDYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1990-10-10 EP disclosed
EP-0085959-B1 AROMATIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1989-04-19 EP disclosed
EP-0249950-A1 Aromatic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1987-12-23 EP disclosed
US-4657918-A FREE FROM SEDATIVE EFFECTS BURROUGHS WELLCOME CO. (US) 1987-04-14 US disclosed
US-4650807-A Antihistaminic compositions and methods containing pyridine derivatives BURROUGHS WELLCOME CO. (US) 1987-03-17 US disclosed
US-4562258-A 6-[3-Amino-1-(4-tolyl)prop-1E-enyl]pyridine-2-carboxylic acid derivatives having antihistaminic activity BURROUGHS WELLCOME CO. 1985-12-31 US disclosed
EP-0133534-A2 Pyridyl compounds THE WELLCOME FOUNDATION LIMITED (GB) 1985-02-27 EP disclosed
US-4501893-A ANTIHISTAMINE/CANT CONTAINS CARBOXYL GROUPS MEDEVA CALIFORNIA, INC. 1985-02-26 US disclosed
EP-0085959-A2 Aromatic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1983-08-17 EP disclosed