SCHEMBL17827022

SCHEMBL17827022

CC(=O)/C(C)=C(/C)C(=O)Nc1ccc(C(F)(F)F)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ATM Q13315 1/20 0.40
DYRK1A Q13627 2/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 2/20 0.38
XBP1 P17861 1/20 0.38
GPR35 Q9HC97 2/20 0.38

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
SCHEMBL7966567 0.83 CYP1A2 (0.55) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL17796948 0.79 TAS2R14 (0.48) MEN1KMT2APTPN1PTPN6PTPN11
SCHEMBL29803126 0.74 RXFP1 (0.53) MEN1KMT2APTPN1PTPN6PTPN11
SCHEMBL18358683 0.74 RXFP1 (0.53) MEN1KMT2APTPN1PTPN6PTPN11
SCHEMBL4610634 0.74 PDK1 (0.65)
SCHEMBL25026560 0.73 MAPT (0.43) MEN1KMT2APTPN1PTPN6PTPN11
SCHEMBL18197786 0.71 EPHX1 (0.61) MEN1KMT2ANPSR1TAS2R14MAPT
SCHEMBL10364548 0.71 MEN1 (0.41) MEN1KMT2APTPN1PTPN6PTPN11
SCHEMBL7254538 0.71 CYP1A2 (0.58) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11876682 0.71 MAPT (0.41) MEN1KMT2APTPN1PTPN6PTPN11

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
EP-2152692-B1 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO LTD (JP) 2016-06-15 EP disclosed