SCHEMBL19980302

SCHEMBL19980302

CCCN(C)c1ccccc1NC=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.34
▸ PABPC1 P11940 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ AOC1 P19801 1/20 0.32
▸ HCAR3 P49019 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ ALDH3A1 P30838 2/20 0.30
▸ ALDH1A3 P47895 2/20 0.30
▸ KDM1A O60341 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ LMNA P02545 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
SCHEMBL19848690 0.79 KDM4E (0.36) ALDH1A1PABPC1TP53AOC1HCAR3
SCHEMBL5540015 0.78 TSHR (0.43) TSHRALDH1A1PABPC1TP53MEN1
SCHEMBL23189242 0.76 TAAR1 (0.35) TSHRALDH1A1PABPC1MEN1KMT2A
SCHEMBL20344637 0.74 TP53 (0.35) ALDH1A1TP53HCAR3ALDH3A1ALDH1A3
SCHEMBL22539189 0.72 ALDH1A1 (0.41) ALDH1A1TP53LMNA
SCHEMBL23997396 0.71 RXRA (0.51) ALDH1A1MEN1KMT2ALMNA
SCHEMBL33525287 0.69 ALDH1A1 (0.46) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL2243716 0.69 ALDH1A1 (0.46) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL5421931 0.69 TP53 (0.45) TSHRALDH1A1TP53HCAR3MEN1
SCHEMBL30527294 0.69 ALDH1A1 (0.57) TSHRALDH1A1PABPC1MEN1KMT2A

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-2956452-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-03-21 — — EP disclosed
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