SCHEMBL27176366

SCHEMBL27176366

O=C=NC(CC(N=C=O)c1ccco1)c1ccco1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
POLB P06746 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PKM P14618 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN7 P35236 1/20 0.37
BLM P54132 1/20 0.37
ESR2 Q92731 1/20 0.37
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 5/20 0.34
MAPT P10636 5/20 0.34
MEN1 O00255 3/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 2/20 0.34
AGTR1 P30556 1/20 0.34
CYP2C19 P33261 2/20 0.34
MIF P14174 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX5 P09917 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
SCHEMBL333415 0.78 ALDH1A1 (0.46) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL4640624 0.69 MIF (0.46) MAPK1CYP2C19MIFTSHR
SCHEMBL845605 0.68 ALOX5 (0.39) KMT2AL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL23515278 0.66 ALDH1A1 (0.40) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL11313257 0.66 KMT2A (0.45) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL8099340 0.65 MIF (0.45) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL23505633 0.65 KMT2A (0.41) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL28302858 0.64 KMT2A (0.44) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL920536 0.64 ALDH1A1 (0.36) KMT2APOLBL3MBTL1PKMPTPN1
SCHEMBL109935 0.64

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
EP-4340807-A1 HAIR COLOR COMPOSITIONS FOR MITIGATING COLOR LOSS Lubrizol Advanced Materials, Inc. (US) 2024-03-27 EP disclosed