SCHEMBL28614567

SCHEMBL28614567

Nc1c(F)c(=O)[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.57
ALDH1A1 P00352 6/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
PARP1 P09874 6/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 2/20 0.53
TNKS O95271 1/20 0.53
CYP1A2 P05177 1/20 0.53
GPR3 P46089 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
PARP15 Q460N3 1/20 0.53
TNKS2 Q9H2K2 1/20 0.53
HPGD P15428 2/20 0.51
FGFR1 P11362 3/20 0.50
FLT1 P17948 2/20 0.50
PDGFRB P09619 2/20 0.50
KDR P35968 2/20 0.50

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
SCHEMBL1268537 0.82 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2PARP1MEN1
SCHEMBL30804387 0.82 KDM4E (0.59) KDM4EALDH1A1SMN1; SMN2PARP1MEN1
SCHEMBL6343134 0.82 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2PARP1MEN1
Urea SCHEMBL28581689 0.78 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2PARP1MEN1
SCHEMBL29096075 0.77 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2PARP1MEN1
SCHEMBL30880427 0.74 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2PARP1MEN1
SCHEMBL9715631 0.73 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2PARP1MEN1
SCHEMBL30623756 0.73 KDM4E (0.69) KDM4EALDH1A1SMN1; SMN2PARP1MEN1
SCHEMBL476707 0.73 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2PARP1MEN1
SCHEMBL17942038 0.73 KDM4E (0.69) KDM4EALDH1A1PARP1MEN1KMT2A

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-107735401-B Substituted dihydropyrrolopyrazole derivatives 宇部兴产株式会社 2021-08-31 CN disclosed