SCHEMBL7735893

SCHEMBL7735893

O=C(O)N1CCN(c2nn(CCO)c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.42
MAPK11 Q15759 9/20 0.42
MAPK13 O15264 3/20 0.42
MAPK12 P53778 3/20 0.42
AKR1C3 P42330 1/20 0.40
LSS P48449 1/20 0.40
GRM5 P41594 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RGS12 O14924 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
THRB P10828 1/20 0.36
SMO Q99835 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 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
SCHEMBL5454776 0.86 CNR1 (0.44) MAPK14MAPK11MAPK13MAPK12SMN1; SMN2
Water SCHEMBL27580375 0.73 MAPK14 (0.70) MAPK14MAPK11MAPK13MAPK12AKR1C3
SCHEMBL5258256 0.69 MAPK11 (0.40) MAPK14MAPK11MAPK13MAPK12LSS
Hydrochloric Acid SCHEMBL27578484 0.69 MAPK11 (0.40) MAPK14MAPK11MAPK13MAPK12LSS
SCHEMBL3322612 0.68 SMO (0.51) AKR1C3SMN1; SMN2ALDH1A1MAPTTRPV1
SCHEMBL14519689 0.68 MAPK11 (0.70) MAPK14MAPK11MAPK13MAPK12LSS
Hydrochloric Acid SCHEMBL27575282 0.68 MAPK11 (0.39) MAPK14MAPK11MAPK13MAPK12LSS
SCHEMBL5451516 0.68 MAPK11 (0.75) MAPK14MAPK11MAPK13MAPK12LSS
SCHEMBL23410869 0.66 MAPK14 (0.44) MAPK14MAPK11LSSGRM5
SCHEMBL23410562 0.66 PTGS2 (0.59) MAPK14MAPK11MAPK13MAPK12LSS

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
US-6423713-B1 Substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & COMPANY 2002-07-23 US disclosed