SCHEMBL14046899

SCHEMBL14046899

CCN(CC)c1cc2[nH]c(-c3ccccc3C)nc2cc1NC(=O)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ GBA1 P04062 1/20 0.46
▸ NPBWR1 P48145 1/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ ABL1 P00519 2/20 0.42
▸ APAF1 O14727 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ TYK2 P29597 1/20 0.42
▸ NR2E3 Q9Y5X4 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41

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
SCHEMBL14046891 0.95 RAB9A (0.48) KMT2AGBA1NPBWR1NPC1RAB9A
SCHEMBL11949067 0.88 KMT2A (0.47) KMT2AHTTNPSR1ABL1SMN1; SMN2
SCHEMBL14046889 0.87 THRB (0.50) KMT2ANPBWR1NPC1RAB9ABRD4
SCHEMBL15275517 0.84 SMN1; SMN2 (0.46) KMT2ANPC1RAB9AHTTNPSR1
SCHEMBL11948986 0.84 SMN1; SMN2 (0.48) KMT2ANPC1RAB9AHTTNPSR1
SCHEMBL14046895 0.84 MMP2 (0.48) NPBWR1NPC1RAB9AHTTNPSR1
SCHEMBL14046894 0.84 MAPT (0.45) KMT2ANPBWR1NPC1RAB9AHTT
SCHEMBL11949060 0.83 SMN1; SMN2 (0.50) KMT2ANPC1RAB9AHTTNPSR1
SCHEMBL3092628 0.83 KDM4E (0.52) KMT2ANPC1RAB9AHTTNPSR1
SCHEMBL14046893 0.82 HPGD (0.46) NPBWR1NPC1RAB9AHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008130669-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-10-30 — — WO disclosed
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