SCHEMBL25629359

SCHEMBL25629359

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.45
NR3C1 P04150 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.36
PPARG P37231 1/20 0.36
RAB9A P51151 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
HTT P42858 1/20 0.33
TRPM8 Q7Z2W7 2/20 0.32
GPR39 O43194 1/20 0.32
TSHR P16473 2/20 0.32
GAA P10253 1/20 0.32
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
AGER Q15109 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
HTR7 P34969 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL14591145 0.82 FFAR2 (0.49) FFAR2NR3C1ALDH1A1NPC1PPARG
SCHEMBL2936251 0.78 FFAR2 (0.49) FFAR2NR3C1ALDH1A1NPC1PPARG
SCHEMBL13359498 0.77 FFAR2 (0.48) FFAR2NR3C1ALDH1A1NPC1PPARG
SCHEMBL13545685 0.74 FFAR2 (0.46) FFAR2NR3C1ALDH1A1NPC1RAB9A
SCHEMBL20761278 0.74 FFAR2 (0.59) FFAR2NR3C1ALDH1A1NPC1PPARG
SCHEMBL27630421 0.74 FFAR2 (0.46) FFAR2NR3C1ALDH1A1NPC1PPARG
SCHEMBL19981466 0.73 FFAR2 (0.43) FFAR2NR3C1ALDH1A1NPC1PPARG
SCHEMBL22481561 0.72 FFAR2 (0.48) FFAR2NR3C1ALDH1A1NPC1PPARG
SCHEMBL9942595 0.71 FFAR2 (0.44) FFAR2NR3C1ALDH1A1NPC1RAB9A
SCHEMBL19974178 0.70 FFAR2 (0.43) FFAR2NR3C1ALDH1A1NPC1PPARG

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
WO-2023098825-A1 SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 勤浩医药(苏州)有限公司 2023-06-08 WO disclosed