SCHEMBL9409306

SCHEMBL9409306

Cn1cc(-c2ccccc2)c(N)nc1=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.42
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ADORA1 P30542 3/20 0.39
ADORA3 P0DMS8 2/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
ADORA2A P29274 2/20 0.38
FGFR1 P11362 1/20 0.37
SRC P12931 1/20 0.37
SMARCA2 P51531 1/20 0.37
SMARCA4 P51532 1/20 0.37
PBRM1 Q86U86 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL9409256 0.72 LTB4R (0.45) ADORA1ADORA2ATLR8DHFR
SCHEMBL9409218 0.71
SCHEMBL8267917 0.71 ADORA3 (0.50) BRD4MAPTSMN1; SMN2NPC1NFKB1
SCHEMBL16202367 0.66 SRC (0.67) SRC
SCHEMBL8306873 0.64 ALDH1A1 (0.53) MAPTSMN1; SMN2NPC1RAB9AADORA1
SCHEMBL2174430 0.63 FGFR1 (0.49) MAPTSMN1; SMN2ADORA1ADORA3ALDH1A1
SCHEMBL11548893 0.63 BRD4 (0.42) BRD4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5318358 0.63 ALDH1A1 (0.63) MAPTSMN1; SMN2NPC1RAB9AADORA1
SCHEMBL5376023 0.63 NPC1 (0.44) BRD4MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9409361 0.62 KMT2A (0.47) NPC1RAB9AADORA1ALDH1A1ADORA2A

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
EP-0584797-A2 Novel cephalosporin compounds and processes for the preparation thereof LUCKY LTD. (KR) 1994-03-02 EP disclosed