SCHEMBL10985659

SCHEMBL10985659

O=C1CC(c2ccc([N+](=O)[O-])cc2)Cc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.60
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL6124100 0.82 CYP19A1 (0.77) CYP19A1MAPTKMT2AMEN1KDM4E
SCHEMBL10692675 0.78 CYP19A1 (0.67) CYP19A1MAPTRAB9AKMT2AMEN1
SCHEMBL25732123 0.78 CYP19A1 (0.67) CYP19A1MAPTRAB9AKMT2AMEN1
SCHEMBL25732095 0.78 CYP19A1 (0.67) CYP19A1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL28522066 0.78 CYP19A1 (0.67) CYP19A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL9149487 0.78 HTR2A (0.49) CYP19A1MAPTSMN1; SMN2CASP3RAB9A
SCHEMBL15256115 0.75 LMNA (0.50) CYP19A1MAPTSMN1; SMN2CASP3RAB9A
SCHEMBL10815794 0.75 CYP19A1 (0.66) CYP19A1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL10525226 0.75 CYP19A1 (0.61) CYP19A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL10693966 0.75 CYP19A1 (0.61) CYP19A1MAPTRAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4520007-A Anti-coagulants of the 4-hydroxycoumarin type and rodenticidal compositions (baits) comprising such anti-coagulants SHELL OIL COMPANY (US) 1985-05-28 US disclosed
EP-0098629-A1 Anti-coagulants of the 4-hydroxycoumarin type, the preparation thereof, and rodenticidal compositions (baits) comprising such anti-coagulants SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-01-18 EP disclosed