SCHEMBL1428355

SCHEMBL1428355

CC(C)N(C(=O)O)c1nccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.43
ALDH1A1 P00352 1/20 0.40
LMNA P02545 4/20 0.36
TSHR P16473 1/20 0.36
HSPA5 P11021 1/20 0.36
HSPA9 P38646 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PPARG P37231 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NR3C1 P04150 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL17397406 0.83 FFAR2 (0.42) FFAR2ALDH1A1LMNATSHRHSPA5
SCHEMBL9834300 0.79 ALDH1A1 (0.42) FFAR2ALDH1A1LMNATSHRHSD17B10
SCHEMBL1369612 0.78 USP30 (0.50) FFAR2ALDH1A1LMNANR3C1TRPM8
SCHEMBL2936251 0.76 FFAR2 (0.49) FFAR2ALDH1A1LMNATSHRNPC1
SCHEMBL16180417 0.75 LMNA (0.43) FFAR2ALDH1A1LMNATSHRHSD17B10
SCHEMBL5075314 0.74 ALDH1A1 (0.43) FFAR2ALDH1A1LMNATSHRNPC1
SCHEMBL18764698 0.73 ALDH1A1 (0.41) FFAR2ALDH1A1LMNATSHRHSD17B10
SCHEMBL27600811 0.72 ALDH1A1 (0.39) FFAR2ALDH1A1LMNATSHRHSD17B10
SCHEMBL7333182 0.71 USP30 (0.40) FFAR2ALDH1A1HSPA5HSPA9NPC1
SCHEMBL7292836 0.71 USP30 (0.40) FFAR2ALDH1A1HSPA5HSPA9NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307411-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-04-13 EP disclosed
EP-2300466-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-03-30 EP disclosed
WO-2009155388-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-23 WO disclosed
WO-2009155389-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-23 WO disclosed