SCHEMBL4738609

SCHEMBL4738609

Cc1nc2c3c(c(C(=O)O)cc2n1C)CCC1(Cc2ccccc2C1)O3

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.36
PIK3C2B O00750 2/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP2D6 P10635 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL4782354 0.89 KDM4E (0.32) KMT2AKDM4EALDH1A1
SCHEMBL4739802 0.89 NPC1 (0.32) NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4737070 0.87 ALDH1A1 (0.36) LMNAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4734384 0.87 KMT2A (0.36) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4734073 0.86 CHIA (0.33) LMNAHPGDNPC1TP53RAB9A
SCHEMBL4740444 0.86 HCAR2 (0.34) DHODHTP53ALDH1A1
SCHEMBL4737882 0.86 RAB9A (0.35) LMNAHPGDNPC1RAB9AKMT2A
SCHEMBL4739107 0.86 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4739132 0.84 KDM4E (0.40) NPC1RAB9AKDM4E
SCHEMBL4739255 0.83 CHRM2 (0.35) MEN1KMT2A

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-2008071765-A1 PHARMACEUTICALLY ACTIVE SPIRO-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2008-06-19 WO claimed