SCHEMBL7425672

SCHEMBL7425672

NCCCNc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 3/20 0.51
STK17B O94768 1/20 0.51
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PRSS1 P07477 8/20 0.44
TAAR1 Q96RJ0 1/20 0.43
F2 P00734 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
TMPRSS6 Q8IU80 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42
SYK P43405 1/20 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
SCHEMBL11934906 0.91 PRSS1 (0.48) STK17ASTK17BMAPTALDH1A1PRSS1
SCHEMBL11748511 0.91 MAPT (0.52) STK17AMAPTALDH1A1PRSS1F2
SCHEMBL3005414 0.86 TAAR1 (0.46) STK17ASTK17BMAPTALDH1A1TAAR1
SCHEMBL2064760 0.85 MAPT (0.57) MAPTALDH1A1TAAR1
Hydrochloric Acid SCHEMBL3027696 0.84 TAAR1 (0.44) STK17ASTK17BMAPTALDH1A1PRSS1
SCHEMBL9155154 0.82 APP (0.52) STK17AMAPTALDH1A1PRSS1F2
SCHEMBL13876474 0.80 MAPT (0.43) STK17ASTK17BMAPTALDH1A1PRSS1
SCHEMBL178398 0.80 MAPT (0.74) STK17AMAPTALDH1A1PRSS1TAAR1
SCHEMBL11348193 0.80 STK17A (0.55) STK17ASTK17BMAPTALDH1A1PRSS1
SCHEMBL1072934 0.79 MAPT (0.73) MAPTALDH1A1PRSS1

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
EP-1012147-A2 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP disclosed
WO-1999006387-A2 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS F. HOFFMANN-LA ROCHE AG (CH) 1999-02-11 WO disclosed