SCHEMBL20373436

SCHEMBL20373436

COc1cc2c(ccc(=O)n2S(=O)(=O)c2ccc(Cl)cc2)cc1/C(C(C)=N)=C(\C)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT1 P17948 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ SCN9A Q15858 6/20 0.37
▸ NOD2 Q9HC29 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALDH3A1 P30838 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 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
SCHEMBL20373746 0.80 AKR1C3 (0.43) PPARGPTGS1PTGS2KDM4ELMNA
SCHEMBL16896747 0.70 BRD4 (0.44) SCN9AKDM4EMAPK1
SCHEMBL20373363 0.68 MAPT (0.35) ALDH1A1HTTLMNASMN1; SMN2MAPT
SCHEMBL20373756 0.67 BRD4 (0.36) ALDH1A1KDM4EHPGDBRD1BRPF1
SCHEMBL20373789 0.66 PDE10A (0.41) —
SCHEMBL427119 0.63 TUBB4A (0.53) NOD2NOD1ALDH1A1LMNAMAPT
SCHEMBL5250607 0.61 PPARG (0.57) FLT1FLT4KDRPPARGPPARA
SCHEMBL31335990 0.61 KDM4E (0.50) FLT1FLT4KDRNOD2NOD1
SCHEMBL10143431 0.60 NOD1 (0.53) PPARGPPARANOD2NOD1PTGS1
SCHEMBL30920116 0.60 NOD2 (0.47) PPARGPPARANOD2NOD1ALDH1A1

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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