SCHEMBL21704265

SCHEMBL21704265

N#Cc1c(NCCN)cc(F)c2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.47
KDM4E B2RXH2 11/20 0.47
HPGD P15428 8/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
SMARCA2 P51531 1/20 0.44
HSD11B1 P28845 3/20 0.36
MAPT P10636 2/20 0.35
ESR1 P03372 1/20 0.35
RUNX1 Q01196 1/20 0.35
CBFB Q13951 1/20 0.35
KMT2A Q03164 4/20 0.34
HTT P42858 3/20 0.34
MEN1 O00255 3/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CUL4A Q13619 1/20 0.33
PABPC1 P11940 1/20 0.33
CASP1 P29466 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
SCHEMBL20156962 0.71 TRPV4 (0.44) ALDH1A1KDM4EHSD17B10
SCHEMBL20732021 0.71 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD11B1KMT2A
SCHEMBL21180029 0.64 KAT2B (0.49) ALDH1A1KDM4ELMNAMAPTGAA
SCHEMBL29054645 0.63 HSD11B1 (0.41) ALDH1A1KDM4EHPGDLMNAHSD11B1
SCHEMBL24056640 0.63 CHEK1 (0.49)
SCHEMBL20732206 0.62 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDLMNAHSD11B1
SCHEMBL20156858 0.60 TSHR (0.58) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL30317451 0.60 TSHR (0.58) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL9748593 0.60 MAPK1 (0.50) ALDH1A1KDM4EHPGDLMNAPOLB
SCHEMBL20732207 0.59 KDM4E (0.34) ALDH1A1KDM4EHPGDHSD11B1HTT

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-2020033707-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2020-02-13 WO disclosed