SCHEMBL14046891

SCHEMBL14046891

CCN(CC)c1cc2[nH]c(-c3ccccc3C)nc2cc1NC(=O)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HTT P42858 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ FOXO1 Q12778 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ LDLR P01130 3/20 0.45
▸ S1PR1 P21453 1/20 0.44
▸ NR2E3 Q9Y5X4 2/20 0.43
▸ GBA1 P04062 1/20 0.42
▸ NPBWR1 P48145 1/20 0.41
▸ POLB P06746 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
SCHEMBL14046899 0.95 KMT2A (0.51) RAB9AKMT2AKDM4ENPC1SMN1; SMN2
SCHEMBL11949060 0.88 SMN1; SMN2 (0.50) RAB9AKMT2AKDM4ENPC1SMN1; SMN2
SCHEMBL11948986 0.87 SMN1; SMN2 (0.48) RAB9AKMT2AKDM4ENPC1SMN1; SMN2
SCHEMBL3092628 0.87 KDM4E (0.52) RAB9AKMT2AKDM4ENPC1SMN1; SMN2
SCHEMBL15275517 0.85 SMN1; SMN2 (0.46) RAB9AKMT2AKDM4ENPC1SMN1; SMN2
SCHEMBL14046889 0.84 THRB (0.50) RAB9AKMT2AKDM4ENPC1SMN1; SMN2
SCHEMBL11949008 0.84 HTT (0.49) RAB9AKMT2AKDM4ENPC1SMN1; SMN2
SCHEMBL11949067 0.83 KMT2A (0.47) KMT2ASMN1; SMN2HTTNPSR1POLB
SCHEMBL11956754 0.83 KDM4E (0.48) RAB9AKMT2AKDM4ENPC1SMN1; SMN2
SCHEMBL11949035 0.82 KDM4E (0.48) RAB9AKMT2AKDM4ENPC1SMN1; 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 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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