SCHEMBL11787303

SCHEMBL11787303

COc1cc(N)c(C)cc1N=C1C=C(C)C(=N)C=C1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 1/20 0.31
▸ TUBA4A P68366 1/20 0.31
▸ TUBB4B P68371 1/20 0.31
▸ TUBB3 Q13509 1/20 0.31
▸ TUBB2A Q13885 1/20 0.31
▸ TUBB8 Q3ZCM7 1/20 0.31
▸ TUBA3E Q6PEY2 1/20 0.31
▸ TUBA1A Q71U36 1/20 0.31
▸ TUBA1C Q9BQE3 1/20 0.31
▸ TUBB6 Q9BUF5 1/20 0.31
▸ TUBB2B Q9BVA1 1/20 0.31
▸ TUBB1 Q9H4B7 1/20 0.31

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
Acetic Acid SCHEMBL11800214 0.93 KDM4E (0.33) POLBGAAGFERMEN1KMT2A
Acetic Acid SCHEMBL11810691 0.71 MAPT (0.36) POLBGAAGFERKDM4EMAPT
SCHEMBL11795132 0.70 MAPT (0.40) POLBGAAGFERMEN1KMT2A
SCHEMBL13525219 0.67 CYP3A4 (0.35) MEN1KMT2AKDM4ENPC1USP2
SCHEMBL10784612 0.67 POLB (0.33) POLBGAAGFERMEN1KMT2A
SCHEMBL10256995 0.66 CYP3A4 (0.55) POLBGAAGFERMEN1KMT2A
Acetic Acid SCHEMBL11628659 0.66 ALDH1A1 (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10784122 0.66 S100B (0.38) POLBGAAKDM4EMAPT
SCHEMBL1225409 0.64 POLB (0.61) POLBGAAGFERMEN1KMT2A
SCHEMBL29666518 0.64 POLB (0.61) POLBGAAGFERMEN1KMT2A

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-3989447-A Process for nonpermanently dyeing human hair with indamine indoaniline and indophenol hair dyes SOCIETE ANONYME DITE: L'OREAL (FR) 1976-11-02 — — US disclosed
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