SCHEMBL6255705

SCHEMBL6255705

Nc1cc(-c2ccccc2C(=O)O)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 1/20 0.48
PTGER1 P34995 2/20 0.45
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
EIF4E P06730 1/20 0.44
TP53 P04637 1/20 0.44
GFER P55789 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
RECQL P46063 1/20 0.44
MYC P01106 1/20 0.44
BCAT2 O15382 1/20 0.43
PTPN11 Q06124 1/20 0.43
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
CYP3A4 P08684 1/20 0.42
IDO1 P14902 1/20 0.42
PDK2 Q15119 1/20 0.42
MCL1 Q07820 2/20 0.42

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
SCHEMBL27474391 0.87 BCAT2 (0.56) KDM4EKMT2AEIF4ERECQLBCAT2
SCHEMBL4881566 0.85 ALDH1A1 (0.58) P2RX7ALDH1A1POLBPTGER1KDM4E
SCHEMBL3542609 0.85 PTGER1 (0.56) P2RX7ALDH1A1PTGER1EIF4ETP53
SCHEMBL31509740 0.81 PPM1B (0.51) ALDH1A1POLBKDM4EKMT2AGFER
SCHEMBL13522902 0.81 PPM1B (0.51) ALDH1A1POLBKDM4EKMT2AGFER
SCHEMBL24161843 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2ATP53CYP3A4
SCHEMBL11105555 0.79 MAOB (0.56) P2RX7MCL1MAPT
SCHEMBL23270907 0.79 CYP3A4 (0.52) ALDH1A1KDM4EKMT2AGFERRXFP1
SCHEMBL23354547 0.77 FTO (0.53) P2RX7ALDH1A1KDM4EEIF4EMYC
SCHEMBL31161066 0.77 CHRM1 (0.53) P2RX7ALDH1A1EIF4EPDK2ACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005065046-A2 AN EFFICIENT INDUSTRIAL PROCESS FOR 3-HYDROXY-3-(3’-SULFAMYL-4’-CHLOROPHENYL)PHTALIMIDINE IPCA LABORATORIES LIMITED (IN) 2005-07-21 WO disclosed
US-4322356-A Method of preparing substituted phthalides THE DOW CHEMICAL CO. (US) 1982-03-30 US disclosed
US-4188330-A Substituted phthalide derivatives THE DOW CHEMICAL COMPANY (US) 1980-02-12 US disclosed