SCHEMBL30458425

SCHEMBL30458425

Cc1nc2cc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c(N)cc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
TRPV1 Q8NER1 2/20 0.48
RAB9A P51151 10/20 0.47
NPC1 O15118 8/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
CASP3 P42574 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 2/20 0.46
GRM4 Q14833 1/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LDHA P00338 1/20 0.45
SENP8 Q96LD8 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
SCHEMBL25231282 1.00 MAPT (0.48) MAPTLMNATP53THRBTRPV1
SCHEMBL25233888 0.96 MAPT (0.48) MAPTLMNATP53THRBTRPV1
SCHEMBL25285461 0.89 GRM4 (0.47) MAPTLMNATP53THRBRAB9A
SCHEMBL30457904 0.89 GRM4 (0.47) MAPTLMNATP53THRBRAB9A
SCHEMBL25280781 0.86 KMT2A (0.59) MAPTLMNATP53THRBTRPV1
SCHEMBL30457787 0.81 GRM4 (0.50) MAPTLMNATP53THRBRAB9A
SCHEMBL25276478 0.81 GRM4 (0.50) MAPTLMNATP53THRBRAB9A
SCHEMBL5803488 0.80 TRPV1 (0.65) MAPTLMNATRPV1RAB9ANPC1
SCHEMBL30457899 0.79 GRM4 (0.46) MAPTLMNATP53THRBTRPV1
SCHEMBL31038314 0.77 GRM4 (0.57) MAPTLMNATP53THRBRAB9A

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