SCHEMBL8077046

SCHEMBL8077046

CC1=C(n2cnccc2=O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 7/20 0.39
MALT1 Q9UDY8 1/20 0.35
ABCB1 P08183 9/20 0.32
TDP2 O95551 1/20 0.32
CASP3 P42574 1/20 0.32
ABCC8 Q09428 2/20 0.31
KCNJ11 Q14654 2/20 0.31
KCNJ8 Q15842 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL8077075 0.84 ABCC9 (0.35) ABCC9MALT1ABCB1TDP2ABCC8
SCHEMBL8077156 0.84 ABCC9 (0.41) ABCC9MALT1ABCB1TDP2CASP3
SCHEMBL7267575 0.82 ABCC9 (0.37) ABCC9MALT1ABCB1CASP3ABCC8
SCHEMBL7267033 0.80 MALT1 (0.35) ABCC9MALT1ABCB1CASP3ABCC8
SCHEMBL8085328 0.80 ABCC9 (0.36) ABCC9MALT1ABCB1TDP2CASP3
SCHEMBL8077233 0.80 ABCC9 (0.40) ABCC9MALT1ABCB1CASP3
SCHEMBL8077047 0.80 ABCC9 (0.37) ABCC9MALT1ABCB1TDP2CASP3
SCHEMBL8085086 0.79 MALT1 (0.35) ABCC9MALT1ABCB1CASP3ABCC8
SCHEMBL9779616 0.79 ABCC9 (0.42) ABCC9MALT1ABCB1CASP3ABCC8
SCHEMBL8077234 0.79 PDE4A (0.42) ABCC9MALT1ABCB1CASP3ABCC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
US-5013853-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-05-07 US disclosed
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed