SCHEMBL9028085

SCHEMBL9028085

O=C(OCc1ccccc1)c1ccc(Cc2c[nH]cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.47
RAB9A P51151 3/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
JMJD6 Q6NYC1 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL6967651 0.96 KMT2A (0.56) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6961218 0.89 KMT2A (0.50) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6960634 0.89 KMT2A (0.50) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL9023589 0.85 L3MBTL1 (0.59) KMT2AALDH1A1MEN1L3MBTL1TSHR
SCHEMBL27753754 0.82 TDP1 (0.53) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL9027127 0.82 MAPT (0.41) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL9023637 0.81 ALDH1A1 (0.46) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6972421 0.81 POLB (0.54) TDP1LMNAMAPTRAB9APOLB
SCHEMBL9029161 0.81 TSHR (0.48) ALDH1A1HPGDRAB9AL3MBTL1NPC1
SCHEMBL8961446 0.80 KMT2A (0.79) KMT2ATDP1SLC6A2SLC6A3LMNA

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-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed
EP-0729459-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1996-09-04 EP disclosed
WO-1995014007-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1995-05-26 WO disclosed