SCHEMBL22201487

SCHEMBL22201487

O=C(NCCc1ccccc1)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1

nearest known ligand 0.86

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.86
TP53 P04637 5/20 0.76
MAPT P10636 4/20 0.70
KMT2A Q03164 4/20 0.66
MEN1 O00255 2/20 0.66
SMN1; SMN2 Q16637 1/20 0.62
GAA P10253 5/20 0.61
ALDH1A1 P00352 4/20 0.61
HSD17B10 Q99714 4/20 0.61
KDM4E B2RXH2 2/20 0.61
HPGD P15428 2/20 0.60
HTT P42858 1/20 0.60
PARP1 P09874 1/20 0.59
HTR3A P46098 1/20 0.57
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56

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
SCHEMBL32690563 0.87 RXFP1 (0.90) RXFP1TP53MAPTKMT2AMEN1
SCHEMBL4550115 0.83 RXFP1 (0.69) RXFP1TP53MAPTKMT2AMEN1
SCHEMBL2115751 0.77 ALDH1A1 (0.78) RXFP1TP53MAPTKMT2AMEN1
SCHEMBL4548108 0.74 TP53 (0.62) RXFP1TP53MAPTKMT2AMEN1
SCHEMBL16345051 0.74 ROCK2 (0.65) RXFP1TP53MAPTKMT2AMEN1
SCHEMBL15282209 0.74 MAPT (0.56) RXFP1TP53MAPTKMT2ASMN1; SMN2
SCHEMBL13091075 0.74 ALDH1A1 (0.84) TP53MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL2611279 0.73 RXFP1 (0.56) RXFP1TP53MAPTKMT2AMEN1
SCHEMBL10132647 0.73 PARP1 (0.66) RXFP1TP53MAPTKMT2AMEN1
SCHEMBL8230874 0.73 HTR3A (1.00) MAPTSMN1; SMN2GAAALDH1A1HSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed