SCHEMBL7828013

SCHEMBL7828013

N=C1NC(=N)c2c1cccc2[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.55
PTPRC P08575 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
RECQL P46063 1/20 0.49
MCL1 Q07820 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
GPR35 Q9HC97 1/20 0.42
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL11669701 0.86 S100A4 (0.56) S100A4PTPRCCA1CA2CA7
SCHEMBL13297046 0.85 S100A4 (0.50) S100A4PTPRCCA1CA2CA7
SCHEMBL7826996 0.82 TDP1 (0.55) S100A4PTPRCCA1CA2CA7
SCHEMBL29849795 0.73 ALDH1A1 (0.50) S100A4KMT2AMAPTRECQLSMN1; SMN2
SCHEMBL3039191 0.73 TDP1 (0.67) S100A4PTPRCCA1CA2CA7
SCHEMBL7529447 0.73 S100A4 (0.56) S100A4PTPRCCA1CA2CA7
SCHEMBL284027 0.73 SMN1; SMN2 (0.61) S100A4PTPRCCA1CA2CA7
SCHEMBL30050991 0.73 SMN1; SMN2 (0.61) S100A4PTPRCCA1CA2CA7
SCHEMBL8621882 0.72 CYP3A4 (0.43) KMT2AMAPTRECQLTDP1ALDH1A1
SCHEMBL28012557 0.71 SMN1; SMN2 (0.60) S100A4PTPRCCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679640-B1 Carboxylate and heat-sensitive recording material using same MITSUI CHEMICALS INC (JP) 2001-08-08 EP disclosed
US-5756247-A PHOTOCONDUCTOR OBTAINED BY HYDROXYLATION WITH ACID PASTING GALLIUM PHTHALOCYANINE; CHARGEABILITY, IMAGE; SEMICONDUCTOR LASER PRINTER FUJI XEROX CO., LTD. (JP) 1998-05-26 US disclosed
US-5691272-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-11-25 US disclosed
US-5663327-A Hydroxygallium phthalocyanine crystal, process for producing the same, and electrophotographic photoreceptor containing the same FUJI XEROX CO., LTD. (JP) 1997-09-02 US disclosed
US-5559247-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1996-09-24 US disclosed
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP disclosed
US-5066796-A Electrophotographic imaging members with bichromophoric bisazo phthalocyanine photoconductive materials XEROX CORPORATION (US) 1991-11-19 US disclosed
US-4116959-A ISOINDOLINE PIGMENTS CIBA-GEIGY CORPORATION (US) 1978-09-26 US disclosed