SCHEMBL11070595

SCHEMBL11070595

Cc1nn(C)c(C(=O)Cl)c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
PKM P14618 2/20 0.54
CYP1A2 P05177 1/20 0.52
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
CYP2C9 P11712 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 3/20 0.48
BLM P54132 1/20 0.48
LMNA P02545 1/20 0.46

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
SCHEMBL1609142 0.84 MAPT (0.61) MAPTPKMCYP1A2ALDH1A1GAA
SCHEMBL1608919 0.83 SMN1; SMN2 (0.61) MAPTPKMCYP1A2ALDH1A1GAA
Hydrochloric Acid SCHEMBL11271192 0.83 MAPT (0.59) MAPTPKMCYP1A2ALDH1A1GAA
SCHEMBL10917670 0.80 CYP1A2 (0.64) MAPTPKMCYP1A2ALDH1A1GAA
SCHEMBL11270696 0.80 MAPT (0.53) MAPTPKMCYP1A2ALDH1A1GAA
SCHEMBL10919482 0.80 MAPT (0.53) MAPTPKMCYP1A2ALDH1A1GAA
SCHEMBL10918194 0.80 MAPT (0.48) MAPTPKMCYP1A2ALDH1A1MEN1
SCHEMBL38664509 0.79 PKM (0.54) MAPTPKMCYP1A2ALDH1A1GAA
SCHEMBL10733909 0.79 MAPT (0.60) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL27574855 0.79 SMN1; SMN2 (0.57) MAPTPKMCYP1A2ALDH1A1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4469868-A ANTIPSYCHOTIC ANGENTS WARNER-LAMBERT COMPANY (US) 1984-09-04 US disclosed
EP-0095289-A2 Imidazo(1,2-c)pyrazolo(3,4-e)pyrimidines and their production WARNER-LAMBERT COMPANY (US) 1983-11-30 EP disclosed
US-4317823-A FOR TREATMENT OF GASTROINTESTINAL DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-03-02 US disclosed
US-3939161-A ANTIINFLAMMATORY, ANTISECRETORY ABBOTT LABORATORIES (US) 1976-02-17 US disclosed