SCHEMBL11085446

SCHEMBL11085446

O=C(O)c1cc(=O)cc(-c2ccccc2Cl)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
ALDH1A1 P00352 3/20 0.67
NPSR1 Q6W5P4 1/20 0.67
MAPT P10636 3/20 0.50
RAB9A P51151 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
CASP3 P42574 1/20 0.50
RECQL P46063 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
SLC9A1 P19634 1/20 0.47
HPGD P15428 3/20 0.46
NPC1 O15118 2/20 0.46
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL11088144 0.83 AKR1C3 (0.49) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL29352723 0.80 ALDH1A1 (1.00) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL4987351 0.80 ALDH1A1 (1.00) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL11090522 0.79 ALOX5 (0.48) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL11095595 0.79 PRKDC (0.52) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL1176530 0.78 ALDH1A1 (0.58) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL11084251 0.74 NPC1 (0.54) ALDH1A1RAB9ALMNAERCC5FEN1
SCHEMBL11091374 0.72 MEN1 (0.52) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL70569 0.71 KDM4E (0.52) KMT2AALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL1008973 0.70 MEN1 (0.60) MEN1KMT2AALDH1A1NPSR1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4471129-A ANTIHISTAMINES LILLY INDUSTRIES LIMITED (GB) 1984-09-11 US disclosed
US-4448787-A ANTIALLERGENS LILLY INDUSTRIES LIMITED (GB) 1984-05-15 US disclosed
US-4304728-A 2,6-DIHYDROXY-2,5-HEXADIENOIC ACID DERIVATIVES, ANTIHISTAMINE INTERMEDIATES LILLY INDUSTRIES LIMITED (GB) 1981-12-08 US disclosed