SCHEMBL4658941

SCHEMBL4658941

NC(=O)C(OC(F)(F)F)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KCNN4 O15554 10/20 0.46
▸ HTT P42858 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ KCNE1 P15382 1/20 0.39
▸ KCNQ1 P51787 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RECQL P46063 1/20 0.35

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
SCHEMBL5560839 0.81 MAPT (0.47) MAPTKMT2AKCNN4HTTPTPN1
SCHEMBL28819288 0.81 PTPN1 (0.39) MAPTKMT2AKCNN4HTTPTPN1
SCHEMBL3905516 0.76 MAPT (0.55) MAPTKMT2AKCNN4HTTTSHR
SCHEMBL7507157 0.74 MAPT (0.44) MAPTKMT2AKCNN4HTTCYP2C19
SCHEMBL10693506 0.73 MAPT (0.52) MAPTKMT2AKCNN4HTTALDH1A1
SCHEMBL31495940 0.73 KMT2A (0.42) MAPTKMT2AKCNN4PTPN1TSHR
SCHEMBL4245525 0.73 MAPT (0.56) MAPTKMT2AKCNN4HTTPTPN1
SCHEMBL17968493 0.73 MAPT (0.56) MAPTKMT2AKCNN4HTTPTPN1
SCHEMBL2465581 0.73 MAPT (0.56) MAPTKMT2AKCNN4HTTPTPN1
SCHEMBL830791 0.72 MAPT (0.60) MAPTKMT2AKCNN4HTTKCNE1

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-1979339-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2008-10-15 — — EP disclosed
WO-2007083017-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2007-07-26 — — WO disclosed
Send feedback