SCHEMBL8771433

SCHEMBL8771433

NCOc1cccc(N)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.67
TP53 P04637 1/20 0.67
MAOB P27338 2/20 0.60
TSHR P16473 1/20 0.56
ALDH1A1 P00352 4/20 0.56
APP P05067 1/20 0.55
AGXT P21549 2/20 0.52
CASP1 P29466 1/20 0.48
RECQL P46063 1/20 0.48
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47
LTA4H P09960 1/20 0.41
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NLRP1 Q9C000 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
Sulfuric Acid SCHEMBL8517990 0.89 CYP3A4 (0.55) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL9502972 0.85 AGXT (0.60) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL3791936 0.84 CYP3A4 (0.69) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL30451644 0.84 CYP3A4 (0.69) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL29502076 0.84 CYP3A4 (0.69) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL7747989 0.84 CYP3A4 (0.69) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL11730467 0.83 TSHR (0.62) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL6756802 0.82 TSHR (0.72) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL29437009 0.82 TSHR (0.79) CYP3A4TP53MAOBTSHRALDH1A1
SCHEMBL29437038 0.82 TSHR (0.72) CYP3A4TP53MAOBTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4046503-A DEVELOPER-COUPLER HAIR DYES BASED ON ALKOXY-TRIAMINO-PYRIMIDINES HENKEL & CIE GMBH (DT) 1977-09-06 US claimed
US-4043750-A OXIDATION HENKEL & CIE GMBH (DT) 1977-08-23 US claimed
CN-108349875-A Compounds with BLT inhibitory activity and include its composition for preventing or treating diseases associated with inflammation as active constituent 东国大学校产学协力团 2018-07-31 CN disclosed
EP-0658099-B1 ANTI-FREE-RADICAL TOPICAL COMPOSITION BASED ON A SUPEROXIDE DISMUTASE AND A PHOSPHONIC DERIVATIVE OREAL (FR) 1997-08-13 EP disclosed
EP-0658099-A1 ANTI-FREE-RADICAL TOPICAL COMPOSITION BASED ON A SUPEROXIDE DISMUTASE AND A PHOSPHONIC DERIVATIVE. OREAL (FR) 1995-06-21 EP disclosed
US-5352438-A Used to protect skin from aging and radiation exposure L'OREAL (FR) 1994-10-04 US disclosed
WO-1992019224-A2 ANTI-FREE-RADICAL TOPICAL COMPOSITION BASED ON A SUPEROXIDE DISMUTASE AND A PHOSPHONIC DERIVATIVE L'OREAL (FR) 1992-11-12 WO disclosed
US-4566876-A COLORFAST SHADES OF BLUE AND BROWN CLAIROL INCORPORATED (US) 1986-01-28 US disclosed
US-4417896-A NITRO-,AMINO-,PHENOXYALKANOLS SOCIETE ANONYME DITE: L'OREAL (FR) 1983-11-29 US disclosed
US-4337061-A NITRO DYES IN AQUEOUS SOLUTION SOCIETE ANONYME DITE: L'OREAL (FR) 1982-06-29 US disclosed