SCHEMBL4956254

SCHEMBL4956254

Oc1ccccc1/C=N/n1cncn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
GAA P10253 2/20 0.57
KDM4E B2RXH2 5/20 0.50
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 5/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 2/20 0.45
CA12 O43570 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 4/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5310267 0.79 GAA (0.59) POLBGAAKDM4EMEN1KMT2A
SCHEMBL3669949 0.73 AMY1A (0.65) POLBGAAKDM4ECYP1A2CYP2C9
SCHEMBL3669947 0.73 AMY1A (0.65) POLBGAAKDM4ECYP1A2CYP2C9
SCHEMBL9821551 0.69 POLB (0.48) POLBGAAKDM4ECYP2C9CYP2C19
SCHEMBL9821549 0.69 POLB (0.48) POLBGAAKDM4ECYP2C9CYP2C19
SCHEMBL5873306 0.68 CYP1A2 (0.56) POLBGAAKDM4ECYP1A2CYP2C9
SCHEMBL14276077 0.68 CYP1A2 (0.56) POLBGAAKDM4ECYP1A2CYP2C9
SCHEMBL9821379 0.67 GAA (0.60) POLBGAAKDM4EALDH1A1HPGD
SCHEMBL12450311 0.67 GAA (0.60) POLBGAAKDM4EALDH1A1HPGD
SCHEMBL9821376 0.67 GAA (0.60) POLBGAAKDM4EALDH1A1HPGD

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
WO-2008013986-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING OPHTHALMIC LIGHT TOXICITY UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-01-31 WO disclosed