SCHEMBL30122138

SCHEMBL30122138

Fc1cccc(F)c1Cn1cc(Br)c(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.43
CA5A P35218 1/20 0.40
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
KDM5B Q9UGL1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
RIPK1 Q13546 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
SCHEMBL29185705 0.74 KDM4E (0.42) KLKB1ALDH1A1KDM4EKMT2A
SCHEMBL28132529 0.74 ALDH1A1 (0.38) L3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL2900590 0.73 KDM4E (0.35) KLKB1ALDH1A1KDM4EKMT2AENPP3
SCHEMBL2187316 0.72
SCHEMBL17066899 0.72 NPC1 (0.44) L3MBTL1ALDH1A1KDM4ETSHRKMT2A
SCHEMBL2186778 0.72 KDM4E (0.30) ALDH1A1KDM4E
SCHEMBL20477442 0.68 NPC1 (0.47) CA5AL3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL21818557 0.68 ACHE (0.39)
SCHEMBL2161366 0.68 KLKB1 (0.40) KLKB1ALDH1A1KDM4EKMT2A
SCHEMBL24211047 0.68 KLKB1 (0.35) KLKB1L3MBTL1ALDH1A1KMT2ARIPK1

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
WO-2022258052-A1 HETEROCYCLIC LACTAM COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 劲方医药科技(上海)有限公司 2022-12-15 WO disclosed