SCHEMBL30457904

SCHEMBL30457904

Nc1cc2sc(C(F)(F)F)nc2cc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.47
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
KDR P35968 3/20 0.43
FLT1 P17948 2/20 0.43
FLT4 P35916 2/20 0.43
PDPK1 O15530 1/20 0.41
CDK8 P49336 1/20 0.41
BLM P54132 1/20 0.41
WRN Q14191 1/20 0.41
PTGS1 P23219 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
AR P10275 1/20 0.40
PDGFRB P09619 1/20 0.40

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
SCHEMBL25285461 1.00 GRM4 (0.47) GRM4MAPTLMNATP53THRB
SCHEMBL30458425 0.89 MAPT (0.48) GRM4MAPTLMNATP53THRB
SCHEMBL25231282 0.89 MAPT (0.48) GRM4MAPTLMNATP53THRB
SCHEMBL25233888 0.84 MAPT (0.48) GRM4MAPTLMNATP53THRB
SCHEMBL25276478 0.82 GRM4 (0.50) GRM4MAPTLMNATP53THRB
SCHEMBL30457787 0.82 GRM4 (0.50) GRM4MAPTLMNATP53THRB
SCHEMBL31038314 0.78 GRM4 (0.57) GRM4MAPTLMNATP53THRB
SCHEMBL25422617 0.76 TMPRSS4 (0.49) GRM4MAPTLMNATHRBKDR
SCHEMBL30393367 0.76 TMPRSS4 (0.49) GRM4MAPTLMNATHRBKDR
SCHEMBL25277128 0.75 GRM4 (0.51) GRM4MAPTLMNATP53THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4448500-A1 BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 EP disclosed
CN-118401502-A Benzothiazole, benzisoxazole and benzodioxole analogs as RXFP1 receptor agonists 百时美施贵宝公司 2024-07-26 CN disclosed
WO-2023114822-A1 BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed