SCHEMBL30141892

SCHEMBL30141892

Cn1c(-c2ccccn2)nc2cc(C(F)(F)F)cnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
CBFB Q13951 1/20 0.41
LMNA P02545 1/20 0.40
METAP1 P53582 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
ALOX5AP P20292 1/20 0.38

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
SCHEMBL20708497 0.81 POLB (0.45) PTGS2ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL13173568 0.80 ALDH1A1 (0.38) PTGS2ALDH1A1KDM4EKMT2AHPGD
SCHEMBL12984017 0.80 PTGS2 (0.40) PTGS2ALDH1A1KDM4EKMT2AHPGD
SCHEMBL13351523 0.80 CA12 (0.46) PTGS2ALDH1A1KDM4EHPGDCA12
SCHEMBL14676731 0.80 POLB (0.43) PTGS2ALDH1A1KDM4EPOLBNPC1
SCHEMBL29431624 0.80 POLB (0.43) PTGS2ALDH1A1KDM4EPOLBNPC1
SCHEMBL30688237 0.80 CA12 (0.42) PTGS2ALDH1A1KDM4ECA12CA9
SCHEMBL9953426 0.80 PDE2A (0.49) PTGS2ALDH1A1KDM4EPOLBGAA
SCHEMBL16611767 0.79 KDM4E (0.44) PTGS2ALDH1A1KDM4EKMT2AHPGD
SCHEMBL355251 0.79 POLB (0.46) ALDH1A1KMT2APOLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115633687-A Composition for preventing and treating mites, insects and nematodes and application 沈阳中化农药化工研发有限公司 2023-01-24 CN claimed
CN-117355519-A Novel substituted pyridines as fungicides 巴斯夫欧洲公司 2024-01-05 CN disclosed
CN-117355518-A Novel substituted pyridines as fungicides 巴斯夫欧洲公司 2024-01-05 CN disclosed
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
CN-111433215-B Derivatives of heterocyclic compounds as pest control agents 拜耳公司 2023-10-03 CN disclosed