SCHEMBL6476545

SCHEMBL6476545

Cn1c(CCc2ccc(C(=N)N)cc2)nc2cc(C(=O)NN3CCC(NC(=O)c4ccccc4Cl)CC3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.50
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.42
NTRK1 P04629 3/20 0.41
NTRK2 Q16620 3/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6482629 0.90 F2 (0.55) F2NPC1RAB9ASMN1; SMN2HDAC1
Hydrochloric Acid SCHEMBL6474728 0.89 F2 (0.55) F2NPC1RAB9ASMN1; SMN2HDAC1
Hydrochloric Acid SCHEMBL6485385 0.88 F2 (0.49) F2NPC1RAB9ASMN1; SMN2HDAC1
Hydrochloric Acid SCHEMBL6475613 0.86 F2 (0.45) F2NPC1RAB9ASMN1; SMN2NTRK1
SCHEMBL6474788 0.86 F2 (0.55) F2NPC1RAB9AHDAC1
SCHEMBL6485333 0.84 NTRK1 (0.53) F2NPC1RAB9ASMN1; SMN2NTRK1
Hydrochloric Acid SCHEMBL6483579 0.83 F2 (0.46) F2NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL6484207 0.83 F2 (0.45) F2NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL6475172 0.82 POLB (0.45) F2NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL6485973 0.82 KDM4E (0.47) F2NPC1RAB9ASMN1; SMN2NTRK1

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
US-6855713-B2 Benzimidazole derivatives, a process for their manufacture and use as a medicine BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US claimed