SCHEMBL25907833

SCHEMBL25907833

COC(=O)C(C)(c1cccs1)c1ccc(Br)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.40
PPARG P37231 1/20 0.40
NCOA1 Q15788 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 1/20 0.35
CHRM2 P08172 3/20 0.35
CHRM1 P11229 3/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RAF1 P04049 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
DAO P14920 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 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
SCHEMBL4636677 0.87 CHRM3 (0.48) CHRM3NPSR1RAB9ACHRM2CHRM1
SCHEMBL25907218 0.84 CHRM3 (0.42) CHRM3PPARGNCOA1NPSR1NCOA3
SCHEMBL2654268 0.74 ALDH1A1 (0.41) CHRM3NPSR1RAB9ACHRM2CHRM1
SCHEMBL7374418 0.74 NPSR1 (0.41) CHRM3NPSR1RAB9ACHRM2CHRM1
SCHEMBL11468485 0.72 RAB9A (0.41) CHRM3NPSR1RAB9AMAPTCHRM2
SCHEMBL11314832 0.71 TSHR (0.39) CHRM3NPSR1RAB9ACHRM2CHRM1
SCHEMBL826276 0.71 CHRM3 (0.49) CHRM3RAB9ACHRM2CHRM1POLB
SCHEMBL2652613 0.70 CHRM2 (0.41) CHRM3NPSR1RAB9AMAPTCHRM2
SCHEMBL7371709 0.70 KCNN4 (0.41) CHRM3NPSR1RAB9ACHRM2CHRM1
SCHEMBL28025273 0.69 CHRM3 (0.51) CHRM3NPSR1RAB9ANPC1MAPT

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-4219485-A1 FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-02 EP disclosed