SCHEMBL6607044

SCHEMBL6607044

CCN(CC)c1cc(C)nc2ccc(N)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.52
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NLRP3 Q96P20 1/20 0.44
NCF1 P14598 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PSMD14 O00487 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL4073181 0.83 TERT (0.55) NQO2KDM4ELMNAPOLBCASP6
SCHEMBL6618425 0.82 TERT (0.39) NQO2KDM4ELMNAALDH1A1CASP1
SCHEMBL5409128 0.79 MAP4K4 (0.41) NQO2KDM4ENPC1RAB9AALDH1A1
SCHEMBL3235863 0.77 NCF1 (0.63) NQO2KDM4ELMNAPOLBCASP6
SCHEMBL6846673 0.77 CYP1A2 (0.57) NQO2KDM4ELMNAPOLBCASP6
SCHEMBL6955172 0.76 CRHR1 (0.48) LMNATERTCRHR1LATS1LATS2
SCHEMBL6600636 0.76 HTT (0.53) LMNAPOLBL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL30579056 0.75 NCF1 (0.61) NQO2KDM4ELMNAPOLBCASP6
SCHEMBL5420608 0.74 CRHR1 (0.44) POLBTERTCRHR1LATS1LATS2
SCHEMBL3390039 0.74 NQO2 (0.53) NQO2KDM4ELMNAPOLBCASP6

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