SCHEMBL9740550

SCHEMBL9740550

COCC1(C)Oc2ccc(C#N)cc2C(Oc2ccc(=O)n(C)n2)C1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 12/20 0.39
AXL P30530 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
ABCC9 O60706 6/20 0.36
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 2/20 0.36
KCNJ8 Q15842 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 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
SCHEMBL9735341 0.92 ABCC9 (0.41) ABCB1AXLTYRO3MERTKABCC9
SCHEMBL9740513 0.86 HTR2B (0.33)
SCHEMBL8536527 0.85 ABCC9 (0.40) ABCB1AXLTYRO3MERTKABCC9
SCHEMBL9739194 0.84 MAPT (0.35) LMNA
SCHEMBL9739946 0.83 AXL (0.33) AXLTYRO3MERTKLMNA
SCHEMBL9740322 0.83 ABCB1 (0.39) ABCB1AXLTYRO3MERTKABCC9
SCHEMBL7359526 0.81 ABCC9 (0.53) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7869407 0.81 ABCC9 (0.53) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4256349 0.81 ABCC9 (0.53) ABCB1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5578941 0.81 ABCC9 (0.53) ABCB1ABCC9ABCC8KCNJ11KCNJ8

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
US-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed