SCHEMBL20373577

SCHEMBL20373577

CO/C(C)=C(\C(C)=N)c1cc2c(cc1OC)N(Cc1ccccn1)C(=O)C(C)(C)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.41
▸ FGFR4 P22455 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ PDE10A Q9Y233 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HKDC1 Q2TB90 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL18326377 0.80 SCN9A (0.47) SCN9AFGFR4KMT2ABCHEACHE
SCHEMBL20373765 0.77 BRD4 (0.45) SCN9AFGFR4POLBKMT2ABCHE
SCHEMBL20373753 0.76 SCN9A (0.40) SCN9APOLBKMT2APDE10ASMN1; SMN2
SCHEMBL16896952 0.73 BRD4 (0.51) SCN9AFGFR4CYP2C9
SCHEMBL20373578 0.73 SCN9A (0.42) SCN9AFGFR4KMT2ABCHEACHE
SCHEMBL20373288 0.66 S1PR3 (0.37) PDE10ASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL18326372 0.65 SCN9A (0.47) SCN9AFGFR4KMT2ABCHEACHE
SCHEMBL20373356 0.65 PLA2G2A (0.39) POLBKMT2APDE10ASMN1; SMN2ALDH1A1
SCHEMBL18326375 0.65 SCN9A (0.46) SCN9AFGFR4KMT2ABCHEACHE
SCHEMBL20357613 0.64 BRD4 (0.43) SCN9AFGFR4CYP1A2CYP2C9ALOX15

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-3092227-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-07-11 — — EP disclosed
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