SCHEMBL8679527

SCHEMBL8679527

CSc1c([N+](=O)[O-])cc(N)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ CYP3A4 P08684 3/20 0.50
▸ TSHR P16473 3/20 0.50
▸ RECQL P46063 1/20 0.50
▸ TDP1 Q9NUW8 5/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MAPT P10636 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ G6PD P11413 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ APOBEC3G Q9HC16 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
SCHEMBL8671772 0.81 GPR35 (0.57) ALDH1A1CYP3A4TSHRRECQLTDP1
SCHEMBL29593492 0.79 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRRECQLTDP1
SCHEMBL11144762 0.79 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRRECQLTDP1
SCHEMBL314000 0.76 TSHR (0.61) ALDH1A1CYP3A4TSHRRECQLTDP1
SCHEMBL8675771 0.76 TDP1 (0.60) ALDH1A1TSHRTDP1L3MBTL1HSD17B10
SCHEMBL5080205 0.75 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRRECQLTDP1
SCHEMBL10400389 0.75 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRRECQLTDP1
SCHEMBL11802635 0.73 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRRECQLTDP1
SCHEMBL10943186 0.73 TDP1 (0.56) ALDH1A1CYP3A4TSHRRECQLTDP1
SCHEMBL19071954 0.71 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRRECQLTDP1

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-5710311-A 2-sulphured metaphenylenediamines for dyeing hair L'OREAL (FR) 1998-01-20 — — US disclosed
EP-0586660-B1 2-SULPHURED METAPHENYLENEDIAMINES FOR DYEING HAIR OREAL (FR) 1997-01-29 — — EP disclosed
US-5505741-A DYEING HAIR BY OXIDATION, RINSING, WASHING WITH SHAMPOO, RINSING AND DRYING L'OREAL (FR) 1996-04-09 — — US disclosed
EP-0586660-A1 2-SULPHURED METAPHENYLENEDIAMINES FOR DYEING HAIR. OREAL (FR) 1994-03-16 — — EP disclosed
WO-1993018739-A1 2-SULPHURED METAPHENYLENEDIAMINES FOR DYEING HAIR L'OREAL (FR) 1993-09-30 — — WO disclosed
Send feedback