SCHEMBL10664652

SCHEMBL10664652

COc1c(O)cc([N+](=O)[O-])c(CCCO)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.44
CHEK1 O14757 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
G6PD P11413 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
SNCA P37840 1/20 0.36
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TXNRD1 Q16881 1/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL28154683 0.75 HTT (0.46) CHEK1ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL8986936 0.74 CHEK1 (0.43) TPMTCHEK1ALDH1A1CYP3A4MEN1
SCHEMBL23247932 0.70 TPMT (0.59) TPMTALDH1A1CYP3A4MAPK1MEN1
SCHEMBL30803057 0.70 MAPT (0.46) ALDH1A1CYP3A4KDM4EMAPTAPOBEC3G
SCHEMBL29200599 0.70 MAPT (0.46) ALDH1A1CYP3A4KDM4EMAPTAPOBEC3G
SCHEMBL9820250 0.68 SMN1; SMN2 (0.40) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL27752557 0.68 GPR35 (0.45) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL30723005 0.68 ALDH1A1 (0.40) TPMTCHEK1ALDH1A1MAPK1MEN1
SCHEMBL29144973 0.68 ALDH1A1 (0.40) TPMTCHEK1ALDH1A1MAPK1MEN1
SCHEMBL2876252 0.67 CHEK1 (0.43) TPMTCHEK1ALDH1A1MAPK1MEN1

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-4749379-A HAIR DYES L'OREAL (FR) 1988-06-07 US claimed