SCHEMBL7199876

SCHEMBL7199876

CCC(=NOCc1ccccc1)C(=O)c1ccc(Sc2ccc(C(=O)C(CC)=NOC(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PAX8 Q06710 2/20 0.39
KLF5 Q13887 2/20 0.39
NR2F2 P24468 1/20 0.39
RAB9A P51151 7/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 6/20 0.38
PKM P14618 4/20 0.38
CDK5 Q00535 3/20 0.38
CDK5R1 Q15078 3/20 0.38
MAPT P10636 3/20 0.38
MITF O75030 1/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL20935416 0.91 ALDH1A1 (0.46) KMT2AALDH1A1MAPK1PAX8KLF5
SCHEMBL29201237 0.90 ALDH1A1 (0.45) KMT2AALDH1A1MAPK1TDP1PAX8
SCHEMBL245812 0.90 ALDH1A1 (0.45) KMT2AALDH1A1MAPK1TDP1PAX8
SCHEMBL14429957 0.90 ALDH1A1 (0.45) KMT2AALDH1A1MAPK1TDP1PAX8
SCHEMBL28486023 0.89 ALDH1A1 (0.42) KMT2AALDH1A1MAPK1PAX8KLF5
SCHEMBL27996751 0.86 KMT2A (0.49) KMT2AALDH1A1MAPK1PAX8RAB9A
SCHEMBL28478924 0.83 NR2F2 (0.45) KMT2AALDH1A1MAPK1PAX8KLF5
SCHEMBL28831707 0.83 HAO1 (0.43) KMT2AALDH1A1MAPK1KLF5RAB9A
SCHEMBL14429952 0.82 ALDH1A1 (0.45) KMT2AALDH1A1MAPK1KLF5RAB9A
SCHEMBL12328370 0.80 ALDH1A1 (0.43) KMT2AALDH1A1MAPK1TDP1PAX8

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-6596445-B1 Initiators for photopolymerization of radically polymerizable compounds CIBA SPECIALTY CHEMICALS CORPORATION 2003-07-22 US disclosed