SCHEMBL6760901

SCHEMBL6760901

COc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.56
BAZ1A Q9NRL2 1/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 3/20 0.54
P2RY1 P47900 1/20 0.53
MAPT P10636 6/20 0.53
MEN1 O00255 3/20 0.53
HTT P42858 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 1/20 0.53
KDR P35968 1/20 0.53
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
TRPV1 Q8NER1 1/20 0.52
CSNK1D P48730 1/20 0.52
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL6764064 0.90 P2RX1 (0.64) EPHX2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL1463349 0.86 GSK3A (0.66) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL4350115 0.85 BAZ1A (0.65) EPHX2BAZ1ARAB9AMAPTMEN1
SCHEMBL16782003 0.85 MAPT (0.70) EPHX2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL6763103 0.84 CYP3A4 (0.61) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL1463448 0.83 MAPT (0.71) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL6763008 0.82 CXCR2 (0.67) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL6765116 0.80 LPAR1 (0.60) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL8401870 0.78 TMPRSS4 (0.81) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL3476076 0.77 RAF1 (0.61) EPHX2BAZ1AMAPTMEN1HTT

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