SCHEMBL23285690

SCHEMBL23285690

C/C(C#N)=C/C=C(\C)c1ccc(OC(=O)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.50
▸ KMT2A Q03164 12/20 0.48
▸ MAPT P10636 8/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ MEN1 O00255 5/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ELANE P08246 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CTSL P07711 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL7759160 0.82 KDM1A (0.38) KMT2AMAPTALDH1A1TDP1L3MBTL1
SCHEMBL9663679 0.75 PARP10 (0.81) PARP10KMT2AMAPTALDH1A1TDP1
SCHEMBL2258573 0.74 PARP10 (0.68) PARP10KMT2AMAPTALDH1A1TDP1
SCHEMBL16429669 0.74 ELANE (0.79) PARP10KMT2AMAPTALDH1A1TDP1
SCHEMBL8205435 0.74 PARP10 (0.78) PARP10KMT2AMAPTALDH1A1TDP1
SCHEMBL725405 0.73 PARP10 (0.77) PARP10KMT2AMAPTALDH1A1TDP1
SCHEMBL26092489 0.73 PARP10 (0.50) PARP10KMT2AMAPTALDH1A1TDP1
SCHEMBL23285689 0.73 PARP10 (0.50) PARP10KMT2AMAPTALDH1A1TDP1
SCHEMBL16705193 0.72 ELANE (0.75) PARP10KMT2AMAPTALDH1A1TDP1
SCHEMBL11039303 0.72 PARP10 (0.60) PARP10KMT2AMAPTALDH1A1TDP1

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-2021077194-A1 PROCESS FOR THE PRODUCTION OF ANTITUMOUR PHARMACEUTICAL COMPOSITIONS USING PUSH-PULL BUTADIENES, COMPOUNDS AND USES THEREOF ANHANGUERA EDUCACIONAL PARTICIPAÇÕES S/A (BR) 2021-04-29 — — WO disclosed
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