SCHEMBL16634667

SCHEMBL16634667

CC(C)S/C(C#N)=C\C=C\N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL16634670 1.00 RECQL (0.43) RECQLALDH1A1GAACYP1A2CYP2C9
SCHEMBL16634620 0.85 — —
SCHEMBL16634576 0.85 — —
SCHEMBL16634762 0.79 RECQL (0.43) RECQLALDH1A1GAACYP1A2CYP2C9
SCHEMBL16634763 0.79 RECQL (0.43) RECQLALDH1A1GAACYP1A2CYP2C9
SCHEMBL12758229 0.74 RECQL (0.49) RECQLALDH1A1GAACYP1A2CYP2C9
SCHEMBL16634565 0.70 ALDH1A1 (0.43) RECQLALDH1A1GAACYP1A2CYP2C9
SCHEMBL16634564 0.70 ALDH1A1 (0.43) RECQLALDH1A1GAACYP1A2CYP2C9
SCHEMBL9473462 0.69 RECQL (0.48) RECQLALDH1A1GAACYP1A2CYP2C9
SCHEMBL9473468 0.69 RECQL (0.48) RECQLALDH1A1GAACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015053576-A1 METHOD FOR PREPARATION OF 3-ALKYLTHIO-2-BROMOPYRIDINE LG LIFE SCIENCES LTD. (KR) 2015-04-16 — — WO claimed
WO-2015053576-A1 METHOD FOR PREPARATION OF 3-ALKYLTHIO-2-BROMOPYRIDINE LG LIFE SCIENCES LTD. (KR) 2015-04-16 — — WO disclosed
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