SCHEMBL5147474

SCHEMBL5147474

NC(=O)n1nc(-c2ccc(F)cc2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.55
PTGER1 P34995 1/20 0.50
RARG P13631 1/20 0.48
HSD17B10 Q99714 2/20 0.44
GRM2 Q14416 2/20 0.44
PPARG P37231 1/20 0.44
MAP3K14 Q99558 1/20 0.43
KMT2A Q03164 2/20 0.43
ELANE P08246 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 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
SCHEMBL4221224 0.81 RORC (0.36) RORCPTGER1RARGMAP3K14KDM4E
SCHEMBL3138154 0.81 RORC (0.36) RORCPTGER1RARGMAP3K14KDM4E
SCHEMBL4227465 0.81 PTGER1 (0.37) RORCPTGER1RARGGRM2KDM4E
SCHEMBL29496853 0.73 RORC (0.46) RORCPTGER1GRM2KMT2AKDM4E
SCHEMBL4216581 0.72 SCN4A (0.35) PTGER1KDM4EALDH1A1POLB
SCHEMBL4221412 0.72 MAPK1 (0.47)
SCHEMBL6757088 0.71 PTGER1 (0.57) RORCPTGER1RARGHSD17B10PPARG
SCHEMBL14863708 0.71 ELANE (0.47) RORCHSD17B10MAP3K14ELANEKDM4E
SCHEMBL2589646 0.71 ELANE (0.59) ELANEPOLBSMN1; SMN2
SCHEMBL5989502 0.71 ELANE (0.73) ELANE

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-1684690-A4 METHODS OF USING AND COMPOSITIONS COMPRISING A JNK INHIBITOR FOR THE TREATMENT AND MANAGEMENT OF ASBESTOS-RELATED DISEASES AND DISORDERS CELGENE CORP (US) 2008-10-15 EP disclosed
EP-1684690-A2 METHODS OF USING AND COMPOSITIONS COMPRISING A JNK INHIBITOR FOR THE TREATMENT AND MANAGEMENT OF ASBESTOS-RELATED DISEASES AND DISORDERS CELGENE CORPORATION (US) 2006-08-02 EP disclosed
WO-2005046594-A2 METHODS OF USING AND COMPOSITIONS COMPRISING A JNK INHIBITOR FOR THE TREATMENT AND MANAGEMENT OF ASBESTOS-RELATED DISEASES AND DISORDERS CELGENE CORPORATION (US) 2005-05-26 WO disclosed