SCHEMBL8693095

SCHEMBL8693095

O=C(c1ccccc1)c1ccncc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
KDM4C Q9H3R0 3/20 0.47
KDM4D Q6B0I6 2/20 0.47
AKR1C3 P42330 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
GAA P10253 2/20 0.44
APP P05067 1/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
VNN1 O95497 1/20 0.44
SRD5A2 P31213 1/20 0.44
NR4A1 P22736 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL5700207 0.86 KMT2A (0.55) KMT2AMEN1KDM4CKDM4DAKR1C3
SCHEMBL7850570 0.80 AKR1C3 (0.62) KMT2AMEN1KDM4CKDM4DAKR1C3
SCHEMBL7824045 0.80 AKR1C3 (0.62) KMT2AMEN1KDM4CKDM4DAKR1C3
SCHEMBL30933589 0.79 KDM4C (0.59) KMT2AMEN1KDM4CKDM4DALDH1A1
SCHEMBL116912 0.79 KDM4C (0.59) KMT2AMEN1KDM4CKDM4DALDH1A1
SCHEMBL1643213 0.79 ALDH1A1 (0.65) KMT2AMEN1KDM4CKDM4DAKR1C3
SCHEMBL20385461 0.79 KMT2A (0.55) KMT2AMEN1KDM4CKDM4DAKR1C3
SCHEMBL28752271 0.78 KMT2A (0.59) KMT2AMEN1ALDH1A1VNN1MAPT
SCHEMBL7230132 0.78 KDM4D (0.41) KMT2AMEN1KDM4CKDM4DALDH1A1
SCHEMBL22229509 0.78 MGAM (0.54) ALDH1A1VNN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817652-A ATHEROSCLEROSIS GLAXO WELLCOME INC. (US) 1998-10-06 US disclosed
EP-0683773-B1 HYPOLIPIDAEMIC CONDENSED 1,4-THIAZEPINES WELLCOME FOUND (GB) 1997-09-17 EP disclosed