SCHEMBL9537720

SCHEMBL9537720

NC(=O)N(S)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.60
ALOX5 P09917 3/20 0.56
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
PTGS1 P23219 2/20 0.53
PTGS2 P35354 2/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAOB P27338 2/20 0.53
NOX1 Q9Y5S8 2/20 0.52
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
MAOA P21397 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL3978283 0.82 FFAR1 (0.57) LMNAFFAR1
SCHEMBL3983563 0.82 PARP10 (0.51) PARP10HDAC6
SCHEMBL221207 0.81 MAOB (0.48) PARP10ALOX5NR4A1NR4A2NR4A3
SCHEMBL9375612 0.79 NOX1 (0.59) PARP10ALOX5NR4A1NR4A2NR4A3
SCHEMBL4991366 0.79 HDAC1 (0.50) PARP10ALOX5HDAC6RAB9AFFAR1
SCHEMBL653551 0.79 PARP10 (0.55) PARP10ALOX5MAOASMN1; SMN2SRD5A2
SCHEMBL8331017 0.78 LMNA (0.56) PARP10ALOX5NR4A1NR4A2NR4A3
SCHEMBL10548607 0.78 PARP10 (0.56) PARP10LMNACYP1A2MAOBMAPT
SCHEMBL4364701 0.77 KMT2A (0.51) NR4A1NR4A2NR4A3CYP1A2NOX1
SCHEMBL6711589 0.76 TAAR1 (0.44) PARP10CYP1A2SMN1; SMN2LTA4H

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
EP-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP disclosed
WO-1992000273-A1 ORTHOSUBSTITUTED BIPHENYL AMIDINE AND BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM THE BOOTS COMPANY PLC (GB) 1992-01-09 WO disclosed