SCHEMBL11321519

SCHEMBL11321519

CC1=CC(=O)C(NC(N)=O)=CC1=Nc1ccc(N(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.52
▸ ADRA2A P08913 4/20 0.38
▸ ADRA2B P18089 2/20 0.38
▸ ADRA2C P18825 2/20 0.38
▸ NOS1 P29475 3/20 0.37
▸ KMT2A Q03164 6/20 0.35
▸ MEN1 O00255 5/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ POLB P06746 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ F2 P00734 3/20 0.34
▸ PRSS1 P07477 3/20 0.34
▸ PRSS2 P07478 3/20 0.34
▸ PRSS3 P35030 3/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34

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
SCHEMBL11330897 0.89 PABPC1 (0.53) PABPC1ADRA2AADRA2BADRA2CNOS1
SCHEMBL11305871 0.86 PABPC1 (0.34) PABPC1NOS1NPC1POLBMAPT
SCHEMBL11623938 0.85 PABPC1 (0.36) PABPC1ADRA2AKMT2AMEN1NPC1
SCHEMBL11316807 0.83 PABPC1 (0.58) PABPC1ADRA2AADRA2BADRA2CNOS1
SCHEMBL11425344 0.79 PABPC1 (0.41) PABPC1ADRA2AADRA2BADRA2CNOS1
SCHEMBL11309468 0.78 PABPC1 (0.67) PABPC1ADRA2AADRA2BADRA2CNOS1
SCHEMBL11316017 0.77 PABPC1 (0.61) PABPC1ADRA2AADRA2BADRA2CNOS1
SCHEMBL11321038 0.77 PABPC1 (0.42) PABPC1ADRA2AADRA2BADRA2CNOS1
SCHEMBL260979 0.76 ALDH1A1 (0.40) PABPC1KMT2AMEN1NPC1POLB
SCHEMBL11256805 0.75 KDM4E (0.33) KDM4EALDH1A1CA2CA9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4221729-A HAIR DYES L'OREAL (FR) 1980-09-09 — — US claimed
US-4248591-A HAIR DYES L'OREAL (FR) 1981-02-03 — — US disclosed
US-4221729-A HAIR DYES L'OREAL (FR) 1980-09-09 — — US disclosed
US-3977825-A Indoanilines in keratinic fiber dye cmpositions L'OREAL (FR) 1976-08-31 — — US disclosed
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