SCHEMBL31207409

SCHEMBL31207409

CN(C(=O)C(F)(F)F)c1ccc(Br)cn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.45
RAB9A P51151 7/20 0.41
NPC1 O15118 5/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.40
EGFR P00533 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.32
HCAR3 P49019 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TSHR P16473 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL31217284 0.85 GBA1 (0.46) GBA1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL2099047 0.80 GBA1 (0.50) GBA1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL5734036 0.80 GBA1 (0.50) GBA1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL9254369 0.78 GBA1 (0.49) GBA1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL9279005 0.78 GBA1 (0.52) GBA1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL17427745 0.75 GBA1 (0.46) GBA1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL1181429 0.75 GBA1 (0.42) GBA1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL29827507 0.75 GBA1 (0.42) GBA1RAB9ANPC1ALDH1A1KMT2A
SCHEMBL6555780 0.74 MAPT (0.44) RAB9AALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL23753449 0.71 GBA1 (0.41) GBA1RAB9ANPC1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4702021-A1 COMPOUNDS CAPABLE OF MODULATING GPR65 Pathios Therapeutics Limited (GB) 2026-03-04 EP disclosed
WO-2024224064-A1 COMPOUNDS CAPABLE OF MODULATING GPR65 Pathios Therapeutics Limited (GB) 2024-10-31 WO disclosed