SCHEMBL7754892

SCHEMBL7754892

CC(C)Oc1ccc2c(c1)C(=N)N=C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.36
PARP10 Q53GL7 1/20 0.35
BRD4 O60885 1/20 0.35
BRPF1 P55201 1/20 0.35
TLK2 Q86UE8 2/20 0.34
TRPV3 Q8NET8 1/20 0.34
ALDH1A3 P47895 1/20 0.33
FGFR1 P11362 1/20 0.33
POLB P06746 1/20 0.33
PDK2 Q15119 1/20 0.33
MCL1 Q07820 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GLA P06280 1/20 0.33
FDPS P14324 1/20 0.32
PDE3B Q13370 1/20 0.32

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
SCHEMBL7754918 0.81 TRPA1 (0.44) ALDH1A1KMT2APOLBLMNA
SCHEMBL7758155 0.80 HPGD (0.38) ALDH1A1BRD4POLBPDK2LMNA
SCHEMBL7756219 0.74 KMT2A (0.43) ALDH1A1KMT2AFGFR1PDK2MAPK1
SCHEMBL5154635 0.69 ALDH1A1 (0.49) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL8960103 0.68 ALDH1A1 (0.36) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL28161679 0.65 ALDH1A1 (0.50) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL22325682 0.65 ALDH1A1 (0.54) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL29629324 0.65 ALDH1A1 (0.54) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL10153872 0.64 TDP1 (0.62) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL125543 0.63 ALDH1A3 (0.64) ALDH1A1KMT2APARP10BRD4BRPF1

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 2 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
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