SCHEMBL7986579

SCHEMBL7986579

C=CC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.71
NPC1 O15118 5/20 0.71
SMN1; SMN2 Q16637 6/20 0.67
LMNA P02545 1/20 0.67
HPGD P15428 3/20 0.63
ALDH1A1 P00352 2/20 0.63
TP53 P04637 1/20 0.63
HSD17B10 Q99714 1/20 0.63
FGFR1 P11362 10/20 0.57
STK16 O75716 1/20 0.53
FYN P06241 1/20 0.53
SRC P12931 1/20 0.53
FLT1 P17948 1/20 0.53
KDR P35968 1/20 0.53
JAK3 P52333 1/20 0.53
BTK Q06187 1/20 0.53
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL7989436 0.83 NPC1 (1.00) RAB9ANPC1SMN1; SMN2LMNAHPGD
Hydrochloric Acid SCHEMBL7976246 0.82 NPC1 (0.97) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL7987076 0.80 RAB9A (1.00) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL25598763 0.79 ALDH1A1 (0.70) RAB9ANPC1SMN1; SMN2LMNAHPGD
Hydrochloric Acid SCHEMBL7990425 0.79 RAB9A (0.98) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL12736101 0.79 BTK (0.60) RAB9ANPC1SMN1; SMN2LMNAFGFR1
SCHEMBL23657668 0.78 NPC1 (0.69) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL13305038 0.77 RAB9A (0.77) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL13305064 0.77 RAB9A (0.67) RAB9ANPC1SMN1; SMN2LMNAHPGD
SCHEMBL14078367 0.76 BTK (0.60) SMN1; SMN2HPGDALDH1A1FGFR1STK16

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-6218388-B1 THERAPY OF PROTEIN TYROSINE KINASE MEDIATED CANCER, ATHEROSCLEROSIS, RESTENOSIS, AND PSORIASIS BY ADMINISTERING BENZIMIDAZOLE DERIVATIVE WARNER-LAMBERT COMPANY 2001-04-17 US disclosed
US-5990146-A TREATING PROTEIN TYROSINE KINASE MEDIATED CANCER; ANTICARCINOGENIC AGENTS; ATHEROSCLEROSIS; RESTENOSIS; PSORIASIS; ANTIPROLIFERATIVE AGENTS WARNER-LAMBERT COMPANY (US) 1999-11-23 US disclosed