SCHEMBL7758155

SCHEMBL7758155

CC(C)COc1ccc2c(c1)C(=N)N=C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 3/20 0.38
LMNA P02545 3/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDK2 Q15119 1/20 0.36
MAOA P21397 1/20 0.36
MAPT P10636 4/20 0.35
POLB P06746 3/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
S1PR1 P21453 1/20 0.35
XDH P47989 2/20 0.34
TRIM24 O15164 1/20 0.34
ABL1 P00519 1/20 0.34
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7756766 0.83 NQO1 (0.42) HPGDKDM4EALDH1A1NPC1LMNA
SCHEMBL7756219 0.80 KMT2A (0.43) HPGDKDM4EALDH1A1NPC1RAB9A
SCHEMBL7754892 0.80 ALDH1A1 (0.38) ALDH1A1LMNAPDK2POLBTP53
SCHEMBL7754918 0.77 TRPA1 (0.44) HPGDKDM4EALDH1A1NPC1LMNA
SCHEMBL5158074 0.72 ALDH1A1 (0.45) HPGDKDM4EALDH1A1NPC1LMNA
SCHEMBL3207483 0.70 PDK2 (0.45) HPGDKDM4EALDH1A1NPC1LMNA
SCHEMBL28221888 0.68 ADRB2 (0.47) HPGDKDM4EALDH1A1NPC1LMNA
SCHEMBL123415 0.68 MAPT (0.55) HPGDKDM4EALDH1A1NPC1LMNA
SCHEMBL8483862 0.68 TDP1 (0.47) HPGDKDM4EALDH1A1NPC1LMNA
SCHEMBL339174 0.66 PDK2 (0.50) HPGDKDM4EALDH1A1LMNAPDK2

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-1056434-A1 DYEING METHOD USING A SPECIFIC CATIONIC DERIVATIVE 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-2000038639-A1 DYEING METHOD USING A SPECIFIC CATIONIC DERIVATIVE 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
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