SCHEMBL5319936

SCHEMBL5319936

CCOC(=O)N1CCc2c(n(C(=O)c3ccccc3)c3ccc(Cl)cc23)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.53
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
BAZ2B Q9UIF8 3/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
PTGS1 P23219 3/20 0.43
PTGS2 P35354 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
PTGER2 P43116 1/20 0.42
PTGDR Q13258 1/20 0.42
TP53 P04637 1/20 0.42
AKR1C4 P17516 1/20 0.42

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
SCHEMBL5315252 0.89 BAZ2B (0.48) PTGDR2AKR1B10AKR1B1BAZ2BSMN1; SMN2
SCHEMBL5316996 0.83 TP53 (0.53) PTGDR2AKR1B10AKR1B1BAZ2BTP53
SCHEMBL29034623 0.76 BAZ2B (0.54) PTGDR2AKR1B10AKR1B1BAZ2BSMN1; SMN2
SCHEMBL1999770 0.74 ELANE (0.50) PTGDR2AKR1B1AKR1C3AKR1C2PTGS1
SCHEMBL11679442 0.72 AKR1C3 (0.65) AKR1C3AKR1C2PTGS1PTGS2KDM4E
SCHEMBL11759394 0.72 BAZ2B (0.46) PTGDR2AKR1B10AKR1B1BAZ2BHPGD
SCHEMBL11679719 0.71 AKR1C3 (0.71) PTGDR2AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL5316982 0.70 LMNA (0.65) BAZ2BHPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL3083783 0.69 PTGDR2 (1.00) PTGDR2BAZ2BPTGER2PTGDRCYP2C9
SCHEMBL13102721 0.68 KDM4E (0.42) PTGS1PTGS2HPGDKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824821-A2 CARBAZOLE, CARBOLINE AND INDOLE DERIVATIVES USEFUL IN THE INHIBITION OF VEGF PRODUCTION PTC Therapeutics, Inc. (US) 2007-08-29 EP disclosed
WO-2006058088-A2 CARBAZOLE, CARBOLINE AND INDOLE DERIVATIVES USEFUL IN THE INHIBITION OF VEGF PRODUCTION PTC THERAPEUTICS, INC. (US) 2006-06-01 WO disclosed