SCHEMBL10167536

SCHEMBL10167536

COC(=O)[C@]1(I=N)CC[C@H](c2cccc(OCc3ccccc3)c2)N1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.42
KCNH2 Q12809 1/20 0.42
ADAM17 P78536 2/20 0.41
GHSR Q92847 5/20 0.41
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
PRMT5 O14744 2/20 0.37

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
SCHEMBL483409 0.84 KCNH2 (0.46) YAP1KCNH2GHSRMDM4MDM2
SCHEMBL1104540 0.83 YAP1 (0.41) YAP1KCNH2ADAM17GHSRMDM4
SCHEMBL1104528 0.78 YAP1 (0.48) YAP1KCNH2ADAM17GHSRPRMT5
SCHEMBL1104550 0.75 YAP1 (0.46) YAP1KCNH2GHSRMDM4MDM2
SCHEMBL10167537 0.75 YAP1 (0.46) YAP1KCNH2ADAM17GHSRPRMT5
SCHEMBL13172547 0.75 YAP1 (0.44) YAP1KCNH2ADAM17GHSRPRMT5
SCHEMBL14019388 0.75 YAP1 (0.44) YAP1KCNH2ADAM17GHSRPRMT5
SCHEMBL311656 0.74 YAP1 (0.46) YAP1KCNH2ADAM17GHSRPRMT5
SCHEMBL484710 0.74 YAP1 (0.46) YAP1KCNH2ADAM17GHSRPRMT5
SCHEMBL483557 0.74 YAP1 (0.45) YAP1KCNH2ADAM17GHSRPRMT5

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-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed
WO-2007042240-A1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed