SCHEMBL6764102

SCHEMBL6764102

COc1ccc(NC(=O)Nc2cccc(C#N)c2)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 2/20 0.62
CXCR2 P25025 2/20 0.62
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GAA P10253 2/20 0.58
HPGD P15428 1/20 0.58
MAPT P10636 7/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
PKM P14618 1/20 0.54
MCHR1 Q99705 1/20 0.54
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
HTT P42858 1/20 0.50
ALOX15 P16050 1/20 0.50
CASP7 P55210 1/20 0.50

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
SCHEMBL5594700 0.91 CXCR1 (0.69) CXCR1CXCR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4111003 0.85 MAPT (0.74) ALDH1A1KDM4ESMN1; SMN2GAAHPGD
SCHEMBL5594683 0.84 CXCR1 (0.70) CXCR1CXCR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6763008 0.82 CXCR2 (0.67) CXCR1CXCR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6760893 0.81 ALDH1A1 (0.60) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL6760907 0.81 DDX3X (0.59) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL6763521 0.81 FADS1 (0.64) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL6763526 0.81 MAPT (0.77) ALDH1A1KDM4ESMN1; SMN2GAAMAPT
SCHEMBL6765010 0.81 MEN1 (0.60) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL4356025 0.81 TRPV1 (0.70) ALDH1A1SMN1; SMN2GAAMAPTMEN1

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