SCHEMBL17620786

SCHEMBL17620786

C=C(/C=N/c1ccccc1)/N=C\C=C/C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ APBA1 Q02410 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GLA P06280 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL18461396 0.78 MEN1 (0.32) KMT2AMEN1
SCHEMBL22861519 0.76 KMT2A (0.50) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL25850101 0.76 KMT2A (0.50) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL29858016 0.76 KMT2A (0.50) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL17620657 0.74 — —
SCHEMBL17620901 0.74 GABRA1 (0.33) LMNA
SCHEMBL27062726 0.70 NOS3 (0.43) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL21389619 0.69 HTR3E (0.48) KMT2AMEN1MAPTLMNA
SCHEMBL20881053 0.69 KMT2A (0.56) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL17620838 0.68 PKM (0.36) KMT2AMEN1MAPTALDH1A1KDM4E

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-2016042014-A1 PYRIDINE COMPLEX OF ZIRCONIUM, CATALYTIC SYSTEM COMPRISING SAID PYRIDINE COMPLEX OF ZIRCONIUM AND PROCESS OF (CO)POLYMERIZATION OF CONJUGATED DIENES VERSALIS S.P.A. (IT) 2016-03-24 — — WO disclosed
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