SCHEMBL14018442

SCHEMBL14018442

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.37
▸ BLM P54132 2/20 0.37
▸ RECQL P46063 2/20 0.37
▸ PKM P14618 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ F2 P00734 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ F12 P00748 1/20 0.37
▸ F7 P08709 1/20 0.37
▸ F3 P13726 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KMT2A Q03164 2/20 0.34
▸ PRSS1 P07477 1/20 0.34

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
SCHEMBL14792478 0.84 RECQL (0.37) POLBBLMRECQLPKMMAPT
SCHEMBL24848866 0.81 BLM (0.41) POLBBLMRECQLPKMMAPT
SCHEMBL17548813 0.79 MAOB (0.39) POLBBLMRECQLPKMMAPT
SCHEMBL16407768 0.73 RECQL (0.38) POLBBLMRECQLPKMMAPT
SCHEMBL14018548 0.73 CES2 (0.34) —
SCHEMBL14275417 0.72 AKT1 (0.37) RECQLMAPTCYP2C19CYP3A4TSHR
SCHEMBL20365747 0.72 AKT1 (0.37) RECQLMAPTCYP2C19CYP3A4TSHR
SCHEMBL13283403 0.72 AKT1 (0.38) POLBBLMRECQLPKMMAPT
SCHEMBL2396375 0.71 BLM (0.48) POLBBLMRECQLPKMMAPT
SCHEMBL3471389 0.71 BLM (0.48) POLBBLMRECQLPKMMAPT

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
EP-1343503-B1 HETEROARYL UREA NEUROPEPTIDE Y Y5 RECEPTOR ANTAGONISTS SCHERING CORP (US) 2008-11-12 — — EP disclosed
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