SCHEMBL16403975

SCHEMBL16403975

Cc1nc(-c2cc(C(=O)Nc3cccc(F)c3)n(C)c2)cs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.69
▸ RAB9A P51151 9/20 0.69
▸ MEN1 O00255 4/20 0.69
▸ KMT2A Q03164 4/20 0.69
▸ MAPT P10636 6/20 0.53
▸ KDM4E B2RXH2 5/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ NFKB1 P19838 3/20 0.52
▸ NFKB2 Q00653 3/20 0.52
▸ RELA Q04206 3/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TP53 P04637 2/20 0.48
▸ KDM1A O60341 1/20 0.48
▸ RCOR1 Q9UKL0 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ OTUD7B Q6GQQ9 1/20 0.45

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
SCHEMBL14325735 0.89 MAPT (0.54) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL14325740 0.88 MAPT (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL16403945 0.88 NFKB1 (0.60) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL16403933 0.88 NPC1 (0.54) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL14325854 0.86 NPC1 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL16403942 0.85 NPC1 (0.50) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL14315446 0.85 MAPT (0.50) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL16404124 0.84 NPC1 (0.51) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL14315443 0.84 RAB9A (0.63) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL14315442 0.83 NPC1 (0.53) NPC1RAB9AMEN1KMT2AMAPT

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
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
Send feedback