SCHEMBL7532192

SCHEMBL7532192

Nc1ccc(Cc2ccc(N)c(Br)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
CYP3A4 P08684 3/20 0.58
TSHR P16473 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CYP17A1 P05093 2/20 0.42
CYP19A1 P11511 2/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 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
SCHEMBL1300912 0.91 GAA (0.54) ALDH1A1CYP3A4TSHRTDP1GAA
SCHEMBL691933 0.86 CALM1 (0.48) ALDH1A1CYP3A4TSHRTDP1GAA
SCHEMBL4042278 0.82 CYP17A1 (0.59) ALDH1A1CYP3A4GAAKDM4EMAPT
SCHEMBL349528 0.80 ALDH1A1 (0.67) ALDH1A1CYP3A4TSHRTDP1GAA
SCHEMBL11229105 0.80 CYP3A4 (0.77) ALDH1A1CYP3A4TSHRTDP1GAA
4,4'-Methylenedianiline SCHEMBL10832019 0.79 CYP3A4 (0.58) ALDH1A1CYP3A4TSHRTDP1GAA
SCHEMBL9309437 0.79 CYP3A4 (0.58) ALDH1A1CYP3A4TSHRTDP1GAA
SCHEMBL23066054 0.77 CYP3A4 (0.61) ALDH1A1CYP3A4TSHRTDP1GAA
SCHEMBL692514 0.77 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRTDP1GAA
SCHEMBL14326992 0.77 TAAR1 (0.52) ALDH1A1TDP1GAAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479217-B1 PHOTOSENSITIVE RECORDING; APPLYING ACTINIC RADIATION; PHOTOPOLYMERIZATION SPECTRA GROUP LIMITED, INC. 2002-11-12 US disclosed
US-20020160310-A1 Method for producing selectively colorable printing plates SPECTRA GROUP LIMITED, INC. 2002-10-31 US disclosed
US-6433035-B1 LEUCO DYE OR DI-, TRI- OR MONOARYLMETHANE DYE COLOR FORMERS YIELD CATIONIC DYE WHEN EXPOSED TO ACTINIC RADIATION IN PRESENCE OF OXIDIZER; BLEACHING AT HIGHER DOSAGES; CURING SPECTRA GROUP LIMITED, INC. 2002-08-13 US disclosed
WO-2002014442-A1 SELECTIVELY COLORABLE COMPOSITIONS SPECTRA GROUP LIMITED, INC. (US) 2002-02-21 WO disclosed
US-6309797-B1 CONTAINING OXIDIZER; EXPOSURE TO ACTINIC RADIATION SPECTRA GROUP LIMITED, INC. 2001-10-30 US disclosed