SCHEMBL29599300

SCHEMBL29599300

Cn1c(-c2cccs2)nc2cc(C(F)(F)F)ncc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.56
▸ ALDH1A1 P00352 11/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ PTGS2 P35354 2/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ KIT P10721 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ PTGS1 P23219 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HSD17B10 Q99714 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HPGD P15428 7/20 0.41
▸ LMNA P02545 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ RCE1 Q9Y256 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL20393635 0.87 SDHB (0.46) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29683444 0.76 CA12 (0.55) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18136192 0.75 KDM4E (0.45) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL24360752 0.75 PIK3CD (0.32) KDM4EALDH1A1NPC1PTGS2HSD17B10
SCHEMBL30130667 0.74 CA12 (0.34) NPC1RAB9APTGS2KITPTGS1
SCHEMBL21065788 0.74 ALOX15 (0.32) HTT
SCHEMBL19974425 0.74 QRFPR (0.33) HTT
SCHEMBL29538895 0.74 QRFPR (0.33) HTT
SCHEMBL18819688 0.73 MEN1 (0.39) KDM4ESMN1; SMN2PTGS2PTGS1L3MBTL1
SCHEMBL18819791 0.73 HSD11B1 (0.52) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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-110582503-B Fused bicyclic heterocyclic compound derivatives as pest control agents 拜耳公司 2022-05-31 — — CN disclosed
Send feedback