SCHEMBL30102436

SCHEMBL30102436

Cc1nc(C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
GABRP O00591 1/20 0.55
GABRD O14764 1/20 0.55
GABRA1 P14867 1/20 0.55
GABRB1 P18505 1/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA5 P31644 1/20 0.55
GABRA3 P34903 1/20 0.55
GABRA2 P47869 1/20 0.55
GABRB2 P47870 1/20 0.55
GABRA4 P48169 1/20 0.55
GABRE P78334 1/20 0.55
GABRA6 Q16445 1/20 0.55
GABRG1 Q8N1C3 1/20 0.55
GABRG3 Q99928 1/20 0.55
GABRQ Q9UN88 1/20 0.55
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.52

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
SCHEMBL148900 1.00 LMNA (0.55) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL6216533 0.87 GABRP (0.53) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL27656222 0.87 LMNA (0.56) LMNARAB9ANPC1GAA
SCHEMBL4195397 0.85 LMNA (0.58) LMNARAB9ANPC1GAASMN1; SMN2
SCHEMBL16418609 0.85 GABRP (0.58) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL3550940 0.84 LMNA (0.54) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL30572236 0.84 LMNA (0.54) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL192851 0.84 LMNA (0.54) LMNARAB9ANPC1GAA
SCHEMBL4198423 0.82 LMNA (0.56) LMNARAB9ANPC1GAAALDH1A1
SCHEMBL4480620 0.81 TAS2R14 (0.46) LMNARAB9ANPC1GAAALDH1A1

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
CN-115443129-A KCNT1 inhibitors and methods of use 普拉西斯精密医药公司 2022-12-06 CN disclosed