SCHEMBL6602282

SCHEMBL6602282

Cc1cc(NC(C)C)c2cc(N)ccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.61
NR4A2 P43354 2/20 0.48
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
CASP6 P55212 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GSK3B P49841 1/20 0.43
ELANE P08246 1/20 0.43
RAD52 P43351 1/20 0.40
TERT O14746 1/20 0.40
NCF1 P14598 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
APP P05067 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MMP1 P03956 1/20 0.38

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
SCHEMBL5988872 0.82 NQO2 (0.66) NQO2POLBKDM4ELMNACASP6
SCHEMBL6609095 0.81 NR4A2 (0.48) NQO2NR4A2POLBKDM4ELMNA
SCHEMBL19009075 0.79 NR4A2 (0.59) NR4A2POLBLMNAL3MBTL1RAD52
SCHEMBL6602843 0.76 KMT2A (0.58) NR4A2POLBLMNAALDH1A1GLA
SCHEMBL10266503 0.75 NR4A2 (0.48) NQO2NR4A2KDM4EL3MBTL1TERT
SCHEMBL3235863 0.74 NCF1 (0.63) NQO2NR4A2POLBKDM4ELMNA
SCHEMBL6846673 0.74 CYP1A2 (0.57) NQO2POLBKDM4ELMNACASP6
SCHEMBL6617291 0.74 NQO2 (0.67) NQO2POLBKDM4ENCF1ALDH1A1
SCHEMBL6613348 0.74 NQO2 (0.75) NQO2POLBKDM4ERAD52NCF1
Hydrochloric Acid SCHEMBL30579056 0.73 NCF1 (0.61) NQO2NR4A2POLBKDM4ELMNA

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