SCHEMBL10600425

SCHEMBL10600425

C=CC(NC(N)=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.50
CA1 P00915 2/20 0.47
CA12 O43570 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
TSHR P16473 1/20 0.42
GAA P10253 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL872575 0.78 KMT2A (0.50) CA1CA12MMP2MMP9MMP8
SCHEMBL9754754 0.75 CA1 (0.50) TGM2CA1CA12MMP2MMP9
SCHEMBL6269067 0.75 CA1 (0.54) TGM2CA1CA12MMP2MMP9
SCHEMBL6269658 0.75 TGM2 (0.54) TGM2CA1CA12MMP2MMP9
SCHEMBL1102071 0.71 KMT2A (0.71) TGM2MEN1KMT2ATSHRGAA
Hydrochloric Acid SCHEMBL5967288 0.70 CA12 (0.51) TGM2CA1CA12MMP2MMP9
Hydrochloric Acid SCHEMBL27491393 0.70 KMT2A (0.69) TGM2MEN1KMT2ATSHRGAA
SCHEMBL10917178 0.69 TDP1 (0.42) TGM2MEN1KMT2ATSHRGAA
SCHEMBL3164409 0.68 ALDH1A1 (0.59) MEN1KMT2ATSHRGAAALDH1A1
SCHEMBL8956995 0.68 TSHR (0.38) MEN1KMT2ATSHRALDH1A1LMNA

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
EP-0150765-B1 USE OF P-UREIDOALKYLAMINO NITROBENZENE COMPOUNDS IN HAIR DYEING COMPOSITIONS AND P-UREIDOALKYLAMINO NITROBENZENE COMPOUNDS Wella Aktiengesellschaft (DE) 1989-03-22 EP claimed
US-4629467-A HIGH INTENSITY ALKALI RESISTANCE; YELLOW COLORING WELLA AKTIENGESELLSCHAFT (DE) 1986-12-16 US claimed
US-4629467-A HIGH INTENSITY ALKALI RESISTANCE; YELLOW COLORING WELLA AKTIENGESELLSCHAFT (DE) 1986-12-16 US disclosed
US-4629467-A HIGH INTENSITY ALKALI RESISTANCE; YELLOW COLORING WELLA AKTIENGESELLSCHAFT (DE) 1986-12-16 US disclosed
WO-1985003223-A1 UTILIZATION OF COMPOUNDS OF p-UREIDOALKYLAMINO-NITROBENZENE IN HAIR COLORANTS AND NEW COMPOUNDS OF p-UREIDOALKYLAMINO-NITROBENZENE WELLA AKTIENGESELLSCHAFT (DE) 1985-08-01 WO disclosed