SCHEMBL7756766

SCHEMBL7756766

CCOc1ccc2c(c1)C(=N)N=C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.42
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 4/20 0.37
KMT2A Q03164 4/20 0.37
CYP3A4 P08684 3/20 0.37
MEN1 O00255 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
NPC1 O15118 1/20 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
SCHEMBL7756219 0.87 KMT2A (0.43) MAPTL3MBTL1ALDH1A1HSD17B10KMT2A
SCHEMBL7756217 0.87 CYP2D6 (0.42) MAPTL3MBTL1ALDH1A1HSD17B10KMT2A
SCHEMBL7758155 0.83 HPGD (0.38) MAPTALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL7754918 0.81 TRPA1 (0.44) MAPTALDH1A1KMT2ACYP3A4MEN1
SCHEMBL7754881 0.76 ACHE (0.35) MAPTL3MBTL1ALDH1A1HSD17B10KMT2A
SCHEMBL5158133 0.69 TP53 (0.49) NQO1MAPTL3MBTL1ALDH1A1HSD17B10
SCHEMBL7758189 0.69 CYP1A2 (0.34) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8959929 0.68 NQO1 (0.39) NQO1MAPTL3MBTL1ALDH1A1HSD17B10
SCHEMBL11189556 0.67 NQO1 (0.46) NQO1MAPTL3MBTL1ALDH1A1HSD17B10
SCHEMBL28483559 0.65 NQO1 (0.54) NQO1MAPTL3MBTL1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073407-A1 HAIR DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE ORQUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISO-INDOLONE DERIVATIVES L'OREAL (FR) 2001-02-07 EP disclosed
EP-1056433-A1 DYEING METHOD USING A SPECIFIC ACTIVE METHYLENE COMPOUND AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-12-06 EP disclosed
EP-1056435-A1 DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES L'OREAL (FR) 2000-12-06 EP disclosed
WO-2000038641-A1 DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES L'OREAL (FR) 2000-07-06 WO disclosed
WO-2000038640-A1 HAIR DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISO-INDOLONE DERIVATIVES L'OREAL (FR) 2000-07-06 WO disclosed
WO-2000038638-A1 DYEING METHOD USING A SPECIFIC ACTIVE METHYLENE COMPOUND AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-07-06 WO disclosed