SCHEMBL19749969

SCHEMBL19749969

C=C(C)c1ccc(/N=N/c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.57
MAPT P10636 7/20 0.53
RAB9A P51151 6/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 6/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
STAT3 P40763 1/20 0.48
STAT1 P42224 1/20 0.48
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL103595 0.91 NPC1 (0.56) TRPA1MAPTRAB9ACASP3SENP8
SCHEMBL102795 0.84 MAPT (0.50) TRPA1MAPTRAB9ACASP3SENP8
SCHEMBL40614 0.82 TRPA1 (0.61) TRPA1MAPTRAB9ACASP3SENP8
SCHEMBL40613 0.82 TRPA1 (0.61) TRPA1MAPTRAB9ACASP3SENP8
SCHEMBL27947436 0.80 TRPA1 (0.60) TRPA1MAPTRAB9ACASP3SENP8
SCHEMBL1405427 0.78 MAPT (0.70) TRPA1MAPTRAB9ACASP3SENP8
SCHEMBL1405426 0.78 MAPT (0.70) TRPA1MAPTRAB9ACASP3SENP8
SCHEMBL18806555 0.78 MAPT (0.70) TRPA1MAPTRAB9ACASP3SENP8
Hydrogen Peroxide SCHEMBL7249472 0.78 CES2 (0.48) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6577 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9849072-B2 Method of coloring hair with direct dye compounds NOXELL CORPORATION (US) 2017-12-26 US disclosed