SCHEMBL30688237

SCHEMBL30688237

Cn1c(-c2ccccn2)nc2cc([S+]([O-])C(F)(F)F)cnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
PTGS2 P35354 1/20 0.39
ALOX5AP P20292 1/20 0.35
KDM4E B2RXH2 3/20 0.35
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR39 O43194 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
RAD51 Q06609 1/20 0.32
GAA P10253 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
SCHEMBL30141892 0.80 PTGS2 (0.45) CA12CA9NPC1RAB9APTGS2
SCHEMBL29431600 0.77 PTGS2 (0.33) NPC1RAB9APTGS2
SCHEMBL14676775 0.77 PTGS2 (0.33) NPC1RAB9APTGS2
SCHEMBL10281001 0.76 USP1 (0.37) PTGS2ALOX5AP
SCHEMBL13351523 0.75 CA12 (0.46) CA12CA9NPC1RAB9APTGS2
SCHEMBL8208830 0.73 KDM4E (0.52) CA12CA9NPC1RAB9AKDM4E
SCHEMBL15426274 0.71 PDE10A (0.35)
SCHEMBL15412723 0.70 DDR1 (0.35) ALOX5AP
SCHEMBL15412815 0.70 POLB (0.40) PTGS2KDM4EALDH1A1
SCHEMBL29683444 0.68 CA12 (0.55) CA12CA9NPC1RAB9APTGS2

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
CN-117295399-A Novel microparticles containing active substances 巴斯夫欧洲公司 2023-12-26 CN disclosed
CN-117241879-A Novel microcapsules containing active substances 巴斯夫欧洲公司 2023-12-15 CN disclosed