SCHEMBL9488794

SCHEMBL9488794

Nc1ccc(OC(F)(F)C(F)C(F)(F)F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
RECQL P46063 1/20 0.33
CETP P11597 2/20 0.33
PDE2A O00408 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL9487472 0.88 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10ALOX5APFEN1
SCHEMBL9488751 0.83 LMNA (0.41) ALDH1A1TSHRHSD17B10ALOX5APFEN1
SCHEMBL9648300 0.81 ALDH1A1 (0.36) ALDH1A1HSD17B10ALOX5APFEN1USP2
SCHEMBL10592964 0.78 ALDH1A1 (0.34) ALDH1A1ALOX5APFEN1PDE2A
SCHEMBL519232 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10ALOX5APFEN1USP2
SCHEMBL11679555 0.78 ALDH1A1 (0.69) ALDH1A1TSHRHSD17B10MEN1USP2
SCHEMBL1361753 0.77 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10MAPTRECQL
SCHEMBL9489317 0.77 ALDH1A1 (0.38) ALDH1A1ALOX5APFEN1PDE2ACA12
SCHEMBL10590774 0.76 ALDH1A1 (0.33) ALDH1A1ALOX5APFEN1
SCHEMBL9501793 0.76 ALDH1A1 (0.41) ALDH1A1ALOX5APFEN1CA12CA1

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-0318782-B1 SUBSTITUTED BENZOYL(THIO) UREAS BAYER AG (DE) 1993-01-20 EP disclosed
EP-0318782-A2 Substituted benzoyl(thio) ureas BAYER AG (DE) 1989-06-07 EP disclosed