SCHEMBL7754881

SCHEMBL7754881

CCOc1cc2c(cc1OCC)C(=N)N=C2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
S1PR1 P21453 6/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 3/20 0.31
POLB P06746 2/20 0.31
MAPK1 P28482 2/20 0.31
HSD17B10 Q99714 3/20 0.31
S1PR3 Q99500 2/20 0.31
AOC3 Q16853 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ENPP1 P22413 1/20 0.30

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
SCHEMBL7758189 0.85 CYP1A2 (0.34) CYP3A4
SCHEMBL7756766 0.76 NQO1 (0.42) TSHRCYP3A4MEN1KMT2ALMNA
SCHEMBL5154744 0.68 ALDH1A1 (0.49) ACHETSHRCYP3A4MEN1KMT2A
SCHEMBL7756217 0.67 CYP2D6 (0.42) TSHRCYP3A4MEN1KMT2ALMNA
SCHEMBL11491934 0.66 TSHR (0.58) ACHETSHRCYP3A4MEN1KMT2A
SCHEMBL27851236 0.62 ALDH1A1 (0.34) ACHETSHRCYP3A4MEN1KMT2A
SCHEMBL7754918 0.62 TRPA1 (0.44) ACHECYP3A4MEN1KMT2ALMNA
SCHEMBL2614744 0.61 TSHR (0.48) ACHETSHRCYP3A4MEN1KMT2A
SCHEMBL9573042 0.60 ACHE (0.41) ACHETSHRCYP3A4S1PR1LMNA
SCHEMBL12051760 0.60 TSHR (0.46) ACHETSHRCYP3A4S1PR1MEN1

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
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
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