SCHEMBL25599685

SCHEMBL25599685

Cn1c(N2CCCC(F)C2)nc2cc([N+](=O)[O-])c(Cl)cc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.37
PGK1 P00558 1/20 0.37
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 6/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 3/20 0.34
LMNA P02545 3/20 0.34
TRPV1 Q8NER1 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL25599264 0.90 KCNH2 (0.44) KCNH2HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL25599242 0.89 ALDH1A1 (0.40) KCNH2HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL25599724 0.88 MAPT (0.45) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL25599801 0.85 MAPT (0.42) KCNH2ALDH1A1MEN1KMT2AMAPT
SCHEMBL25599269 0.84 ALDH1A1 (0.35) KCNH2HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL25599642 0.83 KCNH2 (0.37) KCNH2HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL25599182 0.76 LMNA (0.45) KCNH2HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL17373793 0.73 MAPT (0.43) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL25279915 0.73 CHRM4 (0.34) PGK1MEN1KMT2AMAPTPKM
SCHEMBL25285585 0.73 CHRM4 (0.34) PGK1MEN1KMT2AMAPTPKM

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