SCHEMBL8558989

SCHEMBL8558989

COc1c(Cl)cc(-c2nc(Cc3ccccc3)oc2NS(=O)(=O)c2ccccc2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC40A1 Q9NP59 4/20 0.39
EDNRB P24530 2/20 0.38
EDNRA P25101 2/20 0.38
GGT1 P19440 1/20 0.37
TP53 P04637 1/20 0.37
PGR P06401 1/20 0.37
HTR6 P50406 1/20 0.37
LIMK2 P53671 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9025121 0.93 ALDH1A1 (0.40) ALDH1A1MAPTLMNASLC40A1POLB
SCHEMBL8561122 0.88 MAPT (0.44) ALDH1A1MAPTLMNATSHRSMN1; SMN2
SCHEMBL8556104 0.87 ALDH1A1 (0.48) ALDH1A1MAPTLMNATSHRSMN1; SMN2
SCHEMBL8559468 0.86 ALDH1A1 (0.44) ALDH1A1MAPTLMNATSHRSMN1; SMN2
SCHEMBL8559393 0.85 KMO (0.47) ALDH1A1MAPTLMNATSHRSLC40A1
SCHEMBL8557926 0.85 LMNA (0.49) ALDH1A1MAPTLMNATSHRSLC40A1
SCHEMBL8555983 0.85 ALDH1A1 (0.45) ALDH1A1MAPTLMNATSHRSMN1; SMN2
SCHEMBL8559259 0.85 MAPT (0.47) ALDH1A1MAPTLMNATSHRSMN1; SMN2
SCHEMBL8555914 0.84 MAPT (0.43) ALDH1A1MAPTLMNATSHRSMN1; SMN2
SCHEMBL9025116 0.84 MAPT (0.42) ALDH1A1MAPTLMNATSHRSLC40A1

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
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP claimed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO claimed
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed