SCHEMBL19554198

SCHEMBL19554198

COC(=O)c1ccc2cc(C(F)(F)F)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.54
CFTR P13569 1/20 0.54
PTPN11 Q06124 1/20 0.53
LMNA P02545 2/20 0.52
CYP17A1 P05093 1/20 0.51
CYP3A4 P08684 1/20 0.51
KDM4E B2RXH2 2/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LCK P06239 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
XDH P47989 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MAPT P10636 2/20 0.47

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
SCHEMBL263634 0.85 KIF11 (0.57) PTPN11LMNACYP17A1CYP3A4HTT
SCHEMBL264109 0.84 CYP17A1 (0.50) NOTUMPTPN11LMNACYP17A1CYP3A4
SCHEMBL69025 0.84 PTPN11 (0.68) PTPN11LMNAKDM4EHTTALDH1A1
SCHEMBL29365729 0.84 PTPN11 (0.68) PTPN11LMNAKDM4EHTTALDH1A1
SCHEMBL263146 0.83 PTPN11 (0.54) NOTUMPTPN11LMNACYP17A1CYP3A4
SCHEMBL385370 0.82 LMNA (0.60) NOTUMCFTRLMNAALDH1A1CA1
SCHEMBL8732524 0.82 PTPN11 (0.66) PTPN11LMNAKDM4EHTTALDH1A1
SCHEMBL11461692 0.81 MAPT (0.43) CFTRLMNACYP3A4KDM4EHTT
SCHEMBL11744372 0.81 PTPN11 (0.50) NOTUMPTPN11CYP17A1CYP3A4KDM4E
SCHEMBL10751302 0.81 PTPN11 (0.50) PTPN11CYP17A1CYP3A4KDM4EHTT

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
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed