SCHEMBL6604965

SCHEMBL6604965

Cc1cc(N2CCCC2)c2cc(N)ccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.64
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
NR4A1 P22736 1/20 0.51
PTK2B Q14289 1/20 0.51
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
NPY5R Q15761 1/20 0.47
NQO2 P16083 1/20 0.46
CHRM4 P08173 1/20 0.46
POLB P06746 2/20 0.45
LMNA P02545 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

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
SCHEMBL6601646 0.97 NCF1 (0.60) NCF1KMT2AALDH1A1MEN1GAA
SCHEMBL5025365 0.88 NCF1 (0.64) NCF1KMT2AALDH1A1MEN1GAA
SCHEMBL3949621 0.87 NCF1 (0.68) NCF1KMT2AADRB2ADRB1NQO2
SCHEMBL5420561 0.82 NCF1 (0.64) NCF1KMT2AALDH1A1GAAMAPT
SCHEMBL5025412 0.80 NCF1 (0.57) NCF1KMT2AALDH1A1MEN1GAA
SCHEMBL30511704 0.80 NCF1 (0.97) NCF1KMT2AMEN1GAAMAPT
SCHEMBL5024357 0.79 NCF1 (0.56) NCF1KMT2AALDH1A1MEN1GAA
Hydrochloric Acid SCHEMBL6771977 0.79 NCF1 (0.56) NCF1KMT2AALDH1A1MEN1GAA
SCHEMBL7474699 0.78 NCF1 (0.52) NCF1KMT2AALDH1A1MEN1
SCHEMBL5093467 0.77 NCF1 (0.62) NCF1KMT2AMEN1ADRB2

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