SCHEMBL10037166

SCHEMBL10037166

N#Cc1ccc(NC(=O)C(=O)O)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.67
PTPN11 Q06124 4/20 0.61
MAPT P10636 3/20 0.58
LMNA P02545 2/20 0.58
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.58
NLRP3 Q96P20 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 1/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
PKM P14618 1/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 1/20 0.56
IL18 Q14116 1/20 0.56
PTPN1 P18031 2/20 0.55
PTPN6 P29350 2/20 0.54
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL23880582 0.94 PTPN11 (0.70) GPR35PTPN11PTPN1PTPN6
SCHEMBL3600204 0.83 MAPT (0.61) MAPTLMNATSHRHTTNLRP3
SCHEMBL10495628 0.82 PTPN11 (0.74) GPR35PTPN11MEN1KMT2APTPN1
SCHEMBL11054945 0.81 MAPT (0.81) MAPTLMNATSHRHTTNLRP3
SCHEMBL20941664 0.81 MAPT (0.54) MAPTLMNATSHRHTTNLRP3
SCHEMBL11395159 0.80 GPR35 (1.00) GPR35PTPN11MAPTHTTMEN1
SCHEMBL13379288 0.80 PTPN11 (0.61) PTPN11PTPN1PTPN6
SCHEMBL201980 0.79 RXFP1 (0.57) MAPTLMNATSHRHTTNLRP3
SCHEMBL21138401 0.79 MAPT (0.56) PTPN11MAPTLMNATSHRHTT
SCHEMBL31598551 0.79 MAPT (0.53) GPR35MAPTLMNATSHRHTT

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-2012087889-A2 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-28 WO disclosed