SCHEMBL7772043

SCHEMBL7772043

NCC1CCC(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
NAMPT P43490 1/20 0.51
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 1/20 0.49
SCN9A Q15858 1/20 0.47
CA2 P00918 1/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
CACNA1G O43497 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
CHRM2 P08172 1/20 0.43

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
SCHEMBL7772034 1.00 EPHX1 (0.52) EPHX1NAMPTALDH1A1KMT2AMEN1
SCHEMBL13714308 0.81 MEN1 (0.56) ALDH1A1KMT2AMEN1CA2USP2
SCHEMBL8599432 0.81 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1USP2HPGD
SCHEMBL8599433 0.81 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1USP2HPGD
Hydrochloric Acid SCHEMBL8595569 0.80 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1USP2HPGD
Hydrochloric Acid SCHEMBL3794359 0.80 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1USP2HPGD
SCHEMBL14428878 0.79 MAPT (0.61) EPHX1NAMPTALDH1A1MAPTUSP2
SCHEMBL2581440 0.76 ALDH1A1 (0.60) ALDH1A1KMT2AMAPTUSP2HPGD
SCHEMBL8491799 0.73 CHRM2 (0.57) EPHX1ALDH1A1KMT2AMEN1CA2
SCHEMBL4587579 0.73 CA2 (0.58) EPHX1KMT2AMEN1CA2LOXL2

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-1115731-A2 NOVEL PYRANOSES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-07-18 EP disclosed
WO-2000014097-A2 NOVEL PYRANOSES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-03-16 WO disclosed