SCHEMBL19980263

SCHEMBL19980263

CCCOc1cc(C)c(C#N)cc1N(C)C=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP19A1 P11511 1/20 0.33
PPARG P37231 1/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
S1PR1 P21453 1/20 0.32
BCAT2 O15382 1/20 0.32
BCAT1 P54687 1/20 0.32
MAOB P27338 1/20 0.31
POLB P06746 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
BCL2A1 Q16548 1/20 0.30

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
SCHEMBL22048466 0.77 MEN1 (0.33) ALDH1A1HPGDMAPTNPSR1MAOB
SCHEMBL19980436 0.72 HTR2C (0.41) ALDH1A1HPGDHTTCYP19A1MAPT
SCHEMBL23337299 0.72 CYP19A1 (0.35) ALDH1A1HTTCYP19A1MAPTPOLB
SCHEMBL24034861 0.70 LMNA (0.38) HPGDLMNASMN1; SMN2TSHRMAPK1
SCHEMBL22048701 0.70 KMT2A (0.47) ALDH1A1HPGDSMN1; SMN2TSHRMAPK1
SCHEMBL19980139 0.70 CSNK2A1 (0.40) ALDH1A1HPGDLMNAHTTSMN1; SMN2
SCHEMBL19655565 0.68 ALDH1A1 (0.42) ALDH1A1HPGDLMNAHTTSMN1; SMN2
SCHEMBL21156315 0.68 ALDH1A1 (0.35) ALDH1A1HPGDHTTCYP19A1MAPT
SCHEMBL13475555 0.67 HTT (0.51) ALDH1A1MCOLN3HPGDLMNAHTT
SCHEMBL19980506 0.67 LRRK2 (0.36) ALDH1A1HPGDLMNAHTTSMN1; SMN2

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-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 EP disclosed
EP-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 EP disclosed
EP-3342771-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2018-07-04 EP disclosed
EP-2956452-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-03-21 EP disclosed