SCHEMBL25599724

SCHEMBL25599724

Cn1c(N2CCCC(F)C2)nc2cc([N+](=O)[O-])c(N3CCCC3)cc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.45
ALDH1A1 P00352 9/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
LMNA P02545 3/20 0.44
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR174 Q9BXC1 1/20 0.39

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 0.89 KCNH2 (0.44) MAPTALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL25599242 0.88 ALDH1A1 (0.40) MAPTALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL25599685 0.88 KCNH2 (0.37) MAPTALDH1A1LMNAPKMMAPK1
SCHEMBL25599801 0.84 MAPT (0.42) MAPTALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL25599269 0.83 ALDH1A1 (0.35) MAPTALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL25599642 0.83 KCNH2 (0.37) MAPTALDH1A1CYP2D6LMNAPKM
SCHEMBL25681867 0.81 CHRM3 (0.38) MAPTALDH1A1LMNAPKMHTT
SCHEMBL17373793 0.79 MAPT (0.43) MAPTALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL16898921 0.77 MAPT (0.41) MAPTALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL25263303 0.76 SERPINE1 (0.36) MAPTALDH1A1CYP1A2CYP2C19SMN1; SMN2

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