SCHEMBL23616952

SCHEMBL23616952

CCOC(=O)Cc1ccccc1NC(=O)c1cc(N)c(C=N)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.36
▸ KCNK3 O14649 1/20 0.36
▸ KCNK9 Q9NPC2 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL23616953 0.81 CFD (0.57) CFDSUCNR1
SCHEMBL21439726 0.75 PKM (0.43) CFDSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL21438387 0.75 CFD (0.44) CFDSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL21439705 0.75 NLRP3 (0.43) CFDSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL21439704 0.74 PKM (0.45) CFDSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL21438818 0.74 CFD (0.49) CFDSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL15183757 0.74 KDM4E (0.53) LMNAALDH1A1TSHRNPSR1HSD17B10
SCHEMBL21439744 0.74 TSHR (0.42) CFDSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL21439637 0.73 POLB (0.40) CFDSMN1; SMN2LMNAALDH1A1GAA
SCHEMBL23217837 0.72 ALDH1A1 (0.39) CFDSMN1; SMN2LMNAALDH1A1GAA

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-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 — — EP disclosed
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