SCHEMBL24820334

SCHEMBL24820334

Cc1nc2cc(CN3CCCC3)cc(C(F)(F)F)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.38
CASP1 P29466 2/20 0.38
CASP5 P51878 2/20 0.38
NPY5R Q15761 2/20 0.37
DHODH Q02127 2/20 0.36
S1PR1 P21453 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
PHGDH O43175 1/20 0.35
CASP4 P49662 1/20 0.34
CNR2 P34972 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL24820413 0.89 CYP3A4 (0.46) ALDH1A1CYP3A4CYP2D6MEN1KMT2A
SCHEMBL24820406 0.86 CNR2 (0.44) KDM4EALDH1A1CNR2
SCHEMBL24820408 0.86 CNR2 (0.44) KDM4EALDH1A1CNR2
SCHEMBL24820420 0.86 CNR2 (0.44) KDM4EALDH1A1CNR2
SCHEMBL24820418 0.84 CYP3A4 (0.42) ALDH1A1CYP3A4CYP2D6MEN1TP53
SCHEMBL24818541 0.83 TSHR (0.36) KDM4ECYP3A4CYP2D6MEN1TP53
SCHEMBL24820338 0.83 ALDH1A1 (0.44) KDM4EALDH1A1GAACNR2
SCHEMBL24820342 0.83 ALDH1A1 (0.44) KDM4EALDH1A1GAACNR2
SCHEMBL24820340 0.83 ALDH1A1 (0.44) KDM4EALDH1A1GAACNR2
SCHEMBL24821727 0.78 MAPT (0.39) KDM4EGAAS1PR1POLBMAPT

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-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 WO disclosed