SCHEMBL3778015

SCHEMBL3778015

CCCCOC(=O)Nc1nc(C)c(Br)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.68
RAB9A P51151 3/20 0.57
ALDH1A1 P00352 7/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
CYP1A2 P05177 1/20 0.56
NFKB1 P19838 1/20 0.56
CYP2C19 P33261 1/20 0.56
STAT1 P42224 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 2/20 0.50
CSNK2A2 P19784 1/20 0.47
CSNK2A1 P68400 1/20 0.47
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL30578824 0.75 ALDH1A1 (0.54) TSHRRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL29353713 0.75 SMN1; SMN2 (0.64) TSHRRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL150084 0.74 LCK (0.58)
SCHEMBL16757197 0.73 RAB9A (0.44) RAB9AALDH1A1SMN1; SMN2NPC1CYP1A2
SCHEMBL29356907 0.72 TSHR (0.54) TSHRRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL48387 0.72 ALDH1A1 (0.53) RAB9AALDH1A1NPC1CYP1A2CYP2C19
SCHEMBL994563 0.72 RAB9A (0.55) TSHRRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL18284453 0.71 RAB9A (0.49) TSHRRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL20843709 0.71 L3MBTL1 (0.48) TSHRRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL6675218 0.71 TSHR (0.56) TSHRRAB9AALDH1A1SMN1; SMN2NPC1

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
EP-2391602-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-12-07 EP disclosed
WO-2010080481-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 WO disclosed