SCHEMBL8795251

SCHEMBL8795251

CC1(C)Oc2ccc(C#N)cc2C(C(=O)Nc2ccccc2)=C1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.44
CXCR2 P25025 1/20 0.44
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
HTT P42858 1/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
KLKB1 P03952 1/20 0.42
PRSS1 P07477 1/20 0.42
ABCC9 O60706 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
HASPIN Q8TF76 1/20 0.39
GPR27 Q9NS67 2/20 0.39
AVPR2 P30518 1/20 0.39

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
SCHEMBL8795466 0.88 ALDH1A1 (0.42) CXCR1CXCR2ABCC9ALDH1A1MAPT
SCHEMBL10381352 0.87 EGFR (0.39) CXCR1CXCR2EGFRSRCHTT
SCHEMBL10381354 0.87 RXFP1 (0.48) PLAUALDH1A1MAPTMEN1KMT2A
SCHEMBL10381384 0.80 RARA (0.42) CXCR1CXCR2EGFRSRCHTT
SCHEMBL10382339 0.78 CYP3A4 (0.35) ABCC9MEN1KMT2AABCB1
SCHEMBL8795464 0.77 ABCB1 (0.35) ABCC9ALDH1A1MAPTABCB1
SCHEMBL10438283 0.77 DHODH (0.36) ABCC9ALDH1A1MEN1KMT2ABACE1
SCHEMBL10381374 0.76 ABCB1 (0.36) ABCC9ABCB1
SCHEMBL8795220 0.76 ABCC9 (0.34) ABCC9MEN1KMT2AABCB1
SCHEMBL8795668 0.76 ABCC9 (0.34) ABCC9MEN1KMT2AABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990014346-A1 BENZOPYRAN DERIVATIVES BEECHAM GROUP PLC (GB) 1990-11-29 WO claimed
EP-0398665-A1 Benzopyran derivatives Beecham Group p.l.c. (GB) 1990-11-22 EP claimed
EP-0541807-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1997-12-17 EP disclosed
US-5412117-A Potassium channel activators, antiasmatics, antiepileptics CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-05-02 US disclosed
EP-0541807-A1 NOVEL BENZOPYRAN DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1993-05-19 EP disclosed
WO-1990014346-A1 BENZOPYRAN DERIVATIVES BEECHAM GROUP PLC (GB) 1990-11-29 WO disclosed
EP-0398665-A1 Benzopyran derivatives Beecham Group p.l.c. (GB) 1990-11-22 EP disclosed