SCHEMBL6601646

SCHEMBL6601646

Cc1cc(N2CCC2)c2cc(N)ccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.60
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
NR4A1 P22736 1/20 0.47
PTK2B Q14289 1/20 0.47
NQO2 P16083 1/20 0.46
CHRM4 P08173 1/20 0.46
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NPY5R Q15761 1/20 0.44

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
SCHEMBL6604965 0.97 NCF1 (0.64) NCF1ADRB2ADRB1KMT2AALDH1A1
SCHEMBL3949621 0.87 NCF1 (0.68) NCF1ADRB2ADRB1KMT2ANQO2
SCHEMBL5025365 0.85 NCF1 (0.64) NCF1ADRB2ADRB1KMT2AALDH1A1
SCHEMBL6204107 0.79 MCHR1 (0.48) NCF1KMT2AALDH1A1MEN1GAA
SCHEMBL5420561 0.79 NCF1 (0.64) NCF1ADRB2ADRB1KMT2AALDH1A1
SCHEMBL5065450 0.78 NCF1 (0.88) NCF1ADRB2ADRB1KMT2AMEN1
SCHEMBL7474699 0.78 NCF1 (0.52) NCF1KMT2AALDH1A1MEN1
SCHEMBL3648942 0.77 NCF1 (0.45) NCF1ADRB2ADRB1KMT2ACHRM4
SCHEMBL3642882 0.77 NCF1 (0.45) NCF1ADRB2ADRB1KMT2ACHRM4
SCHEMBL3643040 0.77 NCF1 (0.45) NCF1ADRB2ADRB1KMT2ACHRM4

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