SCHEMBL6160250

SCHEMBL6160250

CCCCCOc1ncccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.55
PTPN11 Q06124 2/20 0.51
MAPK8 P45983 2/20 0.51
TSHR P16473 4/20 0.50
CYP3A4 P08684 3/20 0.50
TP53 P04637 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
NR1I2 O75469 1/20 0.48
CHRM2 P08172 1/20 0.48
ADRA2A P08913 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL11451808 0.98 PTPN1 (0.57) PTPN1PTPN11MAPK8TSHRCYP3A4
SCHEMBL3084388 0.95 L3MBTL1 (0.50) PTPN1PTPN11MAPK8TSHRCYP3A4
SCHEMBL1671161 0.90 KDM4E (0.52) PTPN1MAPK8TSHRCYP3A4MAPK1
SCHEMBL1681179 0.86 LMNA (0.61) PTPN1TSHRCYP3A4TP53MAPK1
SCHEMBL123523 0.85 L3MBTL1 (0.64) TSHRMAPK1L3MBTL1LMNAALDH1A1
SCHEMBL19149220 0.84 LMNA (0.64) PTPN1TSHRCYP3A4TP53MAPK1
SCHEMBL9428921 0.84 LMNA (0.50) PTPN1PTPN11TSHRCYP3A4TP53
SCHEMBL19151006 0.84 LMNA (0.64) PTPN1TSHRCYP3A4TP53MAPK1
SCHEMBL6043383 0.84 KDM4E (0.49) PTPN1TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL1505205 0.82 KDM4E (0.50) TSHRCYP3A4MAPK1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492784-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES Merck & Co., Inc. (US) 2005-01-05 EP claimed
WO-2003082191-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES MERCK & CO., INC. (US) 2003-10-09 WO claimed
US-4181658-A Certain nicotinamido-n-benzoic acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1980-01-01 US disclosed
US-4157395-A TREATMENT OF DIABETES HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-05 US disclosed