SCHEMBL8748889

SCHEMBL8748889

COc1ccc(CC(=[N+]=[N-])C(C)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CTBP2 P56545 1/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 2/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
LDHA P00338 1/20 0.45
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL11518734 0.88 HTT (0.54) HTTALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL8749091 0.81 F2RL1 (0.54) HTTALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL8748635 0.81 CTBP2 (0.43) ALDH1A1CYP2C19SMN1; SMN2CTBP2KMT2A
SCHEMBL8749069 0.79 CES1 (0.48) ALDH1A1CTBP2KMT2AMEN1KDM4E
SCHEMBL48525 0.76 HTT (0.66) HTTALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL28709451 0.76 HTT (0.66) HTTALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL8980476 0.74 HTT (0.63) HTTALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL3628705 0.74 HTT (0.68) HTTALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL11518741 0.73 HTT (0.49) HTTALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL559841 0.73 HTT (0.53) HTTALDH1A1CYP3A4CYP2C19SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627006-A ALKENYLOXY-SUBSTITUTED POLYVINYLPHENOLS, PHOTOSENSITIVE ACID GENERATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-06 US disclosed
EP-0552548-B1 Resist material WAKO PURE CHEM IND LTD (JP) 1997-03-19 EP disclosed
EP-0552548-A1 Resist material WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1993-07-28 EP disclosed