SCHEMBL9028240

SCHEMBL9028240

O=C(NCc1ccc(Cl)cc1)c1cccc(Cc2c[nH]cn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
POLB P06746 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HTT P42858 2/20 0.55
ALOX12 P18054 1/20 0.55
TP53 P04637 2/20 0.49
TSHR P16473 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
SNCA P37840 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL9027973 0.90 IDO1 (0.52) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL6961677 0.87 MEN1 (0.56) RAB9ASMN1; SMN2POLBHTTTSHR
SCHEMBL6960067 0.87 MEN1 (0.56) RAB9ASMN1; SMN2POLBHTTTSHR
SCHEMBL6972274 0.82 HDAC6 (0.55) POLBTSHRL3MBTL1HDAC2HDAC8
SCHEMBL6973879 0.81 HDAC6 (0.54) RAB9APOLBTSHRLMNAHPGD
SCHEMBL9023637 0.80 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL9078769 0.80 CYP19A1 (0.36) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL6973817 0.79 POLB (0.53) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL6968562 0.79 POLB (0.53) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL17548986 0.78 HDAC2 (0.47) RAB9ANPC1SMN1; SMN2POLBALDH1A1

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