SCHEMBL6613342

SCHEMBL6613342

COCCc1c(N)c(C)nc2ccc([NH])cc12

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ NCF1 P14598 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP1A2 P05177 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ NUDT1 P36639 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ RXFP1 Q9HBX9 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
SCHEMBL6617070 0.86 NQO2 (0.38) RENALDH1A1NCF1MAPTHSD17B10
SCHEMBL9283316 0.65 TLR8 (0.43) ALDH1A1TSHRNUDT1KDM4E
SCHEMBL20495242 0.64 SMN1; SMN2 (0.44) ALDH1A1MAPTHSD17B10CASP1CASP7
SCHEMBL6616973 0.63 NCF1 (0.59) ALDH1A1NCF1HSD17B10CASP1CASP7
SCHEMBL8559919 0.60 POLB (0.43) ALDH1A1NCF1MAPTHSD17B10CASP1
SCHEMBL20494897 0.60 KDM4E (0.36) HSD17B10KDM4E
SCHEMBL5358262 0.60 ALDH1A1 (0.42) ALDH1A1HSD17B10CASP1CASP7
SCHEMBL6416089 0.59 NPSR1 (0.51) MAPTHPGDKDM4ESMN1; SMN2
SCHEMBL6416704 0.59 TLR8 (0.39) —
SCHEMBL12005742 0.59 ALDH1A1 (0.34) ALDH1A1MAPTHSD17B10TSHRHPGD

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-1373252-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT Aventis Pharma S.A. (FR) 2004-01-02 — — EP disclosed
WO-2002076975-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2002-10-03 — — WO disclosed
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