SCHEMBL25599182

SCHEMBL25599182

Cc1cc2c(cc1[N+](=O)[O-])nc(N1CCCC(O)C1)n2C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
IKBKB O14920 1/20 0.39
HPGD P15428 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 3/20 0.35
MAPT P10636 2/20 0.35
HSD11B1 P28845 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
SRC P12931 1/20 0.34
PIK3CA P42336 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
SCHEMBL25599242 0.87 ALDH1A1 (0.40) LMNAHPGDALDH1A1MEN1KMT2A
SCHEMBL25599429 0.85 HSD11B1 (0.38) LMNAHPGDALDH1A1MEN1KMT2A
SCHEMBL25221933 0.81 GAA (0.34) LMNAHPGDALDH1A1KCNH2MAPT
SCHEMBL30533956 0.81 GAA (0.34) LMNAHPGDALDH1A1KCNH2MAPT
SCHEMBL25599094 0.81 ALDH1A1 (0.52) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL25220875 0.78 CHRM4 (0.34) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL25599264 0.76 KCNH2 (0.44) LMNAALDH1A1MEN1KMT2AKCNH2
SCHEMBL25599685 0.76 KCNH2 (0.37) LMNAALDH1A1MEN1KMT2AKCNH2
SCHEMBL25258895 0.75 KCNH2 (0.40) ALDH1A1MEN1KMT2AKCNH2MAPT
SCHEMBL25258893 0.75 KCNH2 (0.40) ALDH1A1MEN1KMT2AKCNH2MAPT

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-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 WO disclosed