SCHEMBL11584573

SCHEMBL11584573

COC1=CC(=Nc2ccc(N(C)C)cc2)C(N)=CC1=N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.42
▸ ALDH1A1 P00352 7/20 0.40
▸ MAPK1 P28482 6/20 0.40
▸ MAPT P10636 6/20 0.40
▸ TDP1 Q9NUW8 5/20 0.40
▸ HTT P42858 1/20 0.40
▸ SLC2A1 P11166 1/20 0.38
▸ NPC1 O15118 6/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ THRB P10828 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ TNNI3 P19429 1/20 0.38
▸ TNNT2 P45379 1/20 0.38
▸ TNNC1 P63316 1/20 0.38
▸ PLEC Q15149 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ ADRA2A P08913 2/20 0.37

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
SCHEMBL17399091 0.86 ADRA2A (0.42) PABPC1ALDH1A1MAPTTDP1MEN1
SCHEMBL13525221 0.85 PABPC1 (0.42) PABPC1ALDH1A1MAPK1MAPTTDP1
SCHEMBL15037466 0.85 ALDH1A1 (0.40) ALDH1A1MAPK1MAPTTDP1HTT
SCHEMBL11585860 0.85 ALDH1A1 (0.40) ALDH1A1MAPK1MAPTTDP1HTT
SCHEMBL15037459 0.84 TDP1 (0.39) ALDH1A1MAPK1MAPTTDP1HTT
SCHEMBL11790187 0.84 PABPC1 (0.50) PABPC1ALDH1A1MAPK1MAPTTDP1
Hydrochloric Acid SCHEMBL11798958 0.82 PABPC1 (0.49) PABPC1ALDH1A1MAPK1MAPTTDP1
SCHEMBL11789051 0.82 S100B (0.36) MAPK1MAPTMEN1KMT2AESR1
SCHEMBL15037463 0.82 S100B (0.36) MAPK1MAPTMEN1KMT2AESR1
SCHEMBL11585869 0.81 PSMD14 (0.31) ALDH1A1MAPTNPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3984443-A Indamines for dyeing keratinic fibers L'OREAL (FR) 1976-10-05 — — US claimed
US-4093640-A HAIR DYES L'OREAL (FR) 1978-06-06 — — US disclosed
US-3984443-A Indamines for dyeing keratinic fibers L'OREAL (FR) 1976-10-05 — — US disclosed
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