SCHEMBL6765116

SCHEMBL6765116

COc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)c(O)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.60
RAB9A P51151 2/20 0.55
GAA P10253 2/20 0.55
NPC1 O15118 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TRPV1 Q8NER1 2/20 0.54
ALDH1A1 P00352 4/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TP53 P04637 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
KDM4E B2RXH2 3/20 0.51
HSP90AA1 P07900 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
CRHR1 P34998 1/20 0.49

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
SCHEMBL6567619 0.80 KMT2A (0.65) RAB9AGAANPC1SMN1; SMN2TRPV1
SCHEMBL6763008 0.80 CXCR2 (0.67) RAB9AGAANPC1SMN1; SMN2ALDH1A1
SCHEMBL6760901 0.80 EPHX2 (0.56) RAB9AGAANPC1SMN1; SMN2TRPV1
SCHEMBL6764064 0.80 P2RX1 (0.64) RAB9AGAANPC1SMN1; SMN2ALDH1A1
SCHEMBL1463349 0.79 GSK3A (0.66) RAB9AGAANPC1SMN1; SMN2TRPV1
SCHEMBL3704175 0.77 CXCR2 (0.67) RAB9AGAANPC1SMN1; SMN2TRPV1
SCHEMBL16127720 0.77 GAA (0.62) GAASMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL6763103 0.77 CYP3A4 (0.61) GAASMN1; SMN2TRPV1ALDH1A1LMNA
SCHEMBL27430704 0.76 TSHR (0.55) RAB9AGAANPC1SMN1; SMN2ALDH1A1
SCHEMBL17978458 0.76 LPAR1 (0.59) LPAR1RAB9AGAANPC1SMN1; SMN2

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