SCHEMBL6764064

SCHEMBL6764064

COc1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.64
TMPRSS4 Q9NRS4 2/20 0.64
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
RAF1 P04049 1/20 0.52
MAPT P10636 4/20 0.51
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
AKR1C3 P42330 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDR P35968 2/20 0.47
ALDH1A1 P00352 1/20 0.47
EPHX2 P34913 1/20 0.46

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
SCHEMBL6760901 0.90 EPHX2 (0.56) P2RX1TMPRSS4MAPTCA12CA1
SCHEMBL1463349 0.89 GSK3A (0.66) GSK3AGSK3BMAPTAKR1C3MEN1
SCHEMBL6763103 0.84 CYP3A4 (0.61) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL6763008 0.80 CXCR2 (0.67) MAPTMEN1KMT2AGAANPC1
SCHEMBL6765116 0.80 LPAR1 (0.60) MEN1KMT2AGAANPC1RAB9A
SCHEMBL1462402 0.79 NTRK1 (0.69) GSK3AGSK3BMAPTAKR1C3MEN1
SCHEMBL130066 0.78 TMPRSS4 (1.00) P2RX1TMPRSS4AKR1C3MEN1KMT2A
SCHEMBL1463448 0.77 MAPT (0.71) MAPTCA12CA1CA2CA9
SCHEMBL1463485 0.77 AKR1C3 (0.70) GSK3AGSK3BMAPTAKR1C3MEN1
SCHEMBL6763526 0.77 MAPT (0.77) MAPTMEN1KMT2AGAANPC1

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
US-20040063742-A1 Treatment of parkinson's disease by the combined action of a compound with neurotrophic activity and a compound enhancing the dopamine activity NEUROSEARCH A/S (DK) 2004-04-01 US claimed
US-20040063742-A1 Treatment of parkinson's disease by the combined action of a compound with neurotrophic activity and a compound enhancing the dopamine activity NEUROSEARCH A/S (DK) 2004-04-01 US disclosed