SCHEMBL8034663

SCHEMBL8034663

CN(C)c1ccc(N)cc1.COc1c(N)cc(C)c(N)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 3/20 0.48
ALOX15 P16050 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38
TUBB6 Q9BUF5 2/20 0.38
TUBB2B Q9BVA1 2/20 0.38

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
SCHEMBL30776799 0.82 ALDH1A1 (0.39) ALDH1A1MAPK1TDP1TP53CYP3A4
SCHEMBL442754 0.82 ALDH1A1 (0.39) ALDH1A1MAPK1TDP1TP53CYP3A4
Hydrochloric Acid SCHEMBL8537064 0.80 ALDH1A1 (0.37) ALDH1A1MAPK1TDP1TP53CYP3A4
Hydrochloric Acid SCHEMBL8534995 0.80 ALDH1A1 (0.37) ALDH1A1MAPK1TDP1TP53CYP3A4
SCHEMBL6739605 0.76 ALDH1A1 (0.70) ALDH1A1MAPK1ALOX15TDP1TP53
SCHEMBL19435865 0.75 ALDH1A1 (0.67) ALDH1A1MAPK1ALOX15TDP1TP53
Anisole SCHEMBL11145281 0.72 CA4 (0.45) ALDH1A1MAPK1TDP1CYP3A4TUBB4A
SCHEMBL9489660 0.71 POLB (0.44) ALDH1A1MAPK1ALOX15TDP1CYP3A4
SCHEMBL28026123 0.70 ALDH1A1 (0.73) ALDH1A1MAPK1ALOX15TDP1TP53
SCHEMBL8468934 0.70 ALDH1A1 (1.00) ALDH1A1MAPK1ALOX15TDP1TP53

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-6024769-A HAIR COLORS AND HAIR DYEING; RESISTANCE TO LIGHT, WASHINGS, PERSPIRATION AND ADVERSE WEATHER L'OREAL (FR) 2000-02-15 US claimed