SCHEMBL14878920

SCHEMBL14878920

O=Nc1cccc(OCCCl)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.37
▸ HTT P42858 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ FURIN P09958 1/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PRSS1 P07477 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34

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
SCHEMBL14314265 0.82 RAB9A (0.40) MAPK1HTTRAB9AL3MBTL1LMNA
SCHEMBL22964316 0.78 FFAR1 (0.50) RAB9A
SCHEMBL5532468 0.78 TP53 (0.53) MAPK1HTTL3MBTL1LMNASMN1; SMN2
SCHEMBL13349912 0.77 MAOB (0.50) —
SCHEMBL14294428 0.77 ABCG2 (0.44) MAPK1HTTRAB9AL3MBTL1KMT2A
SCHEMBL22964310 0.76 TLR4 (0.49) SMN1; SMN2TSHR
SCHEMBL3021740 0.76 SMN1; SMN2 (0.39) MAPK1HTTLMNASMN1; SMN2KMT2A
SCHEMBL23838435 0.74 MAOB (0.57) KDM4E
SCHEMBL10245926 0.74 MAPT (0.43) HTTL3MBTL1LMNASMN1; SMN2KMT2A
SCHEMBL12002205 0.74 LMNA (0.60) MAPK1HTTLMNAALOX15TSHR

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
EP-1971606-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-04-24 — — EP disclosed
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