SCHEMBL6972170

SCHEMBL6972170

N=C(Cc1ccc(Cc2c[nH]cn2)cc1)NCc1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
P2RX7 Q99572 1/20 0.34
QPCT Q16769 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL9078769 0.90 CYP19A1 (0.36) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL9081222 0.89 KMT2A (0.37) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL9081323 0.89 ALDH1A1 (0.37) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL9028109 0.88 PLAAT3 (0.39) KMT2AMEN1ALDH1A1LMNAPKM
SCHEMBL6968642 0.85 POLB (0.40) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL11047959 0.81 HSP90AB1 (0.47) ALDH1A1LMNAHSP90AB1
SCHEMBL6961677 0.80 MEN1 (0.56) KMT2AMEN1RAB9ALMNACYP2C9
SCHEMBL6960067 0.80 MEN1 (0.56) KMT2AMEN1RAB9ALMNACYP2C9
SCHEMBL9079252 0.79 PLAAT3 (0.40) KMT2AMEN1ALDH1A1LMNAPKM
SCHEMBL6970802 0.77 SMN1; SMN2 (0.38) KMT2AMEN1NPC1ALDH1A1RAB9A

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
EP-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP claimed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed