SCHEMBL9735854

SCHEMBL9735854

O=C1CCC(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)N1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
POLB P06746 1/20 0.51
MGLL Q99685 6/20 0.51
MAPT P10636 1/20 0.51
PHGDH O43175 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
AKR1C3 P42330 1/20 0.47
PARP1 P09874 1/20 0.46
HSD11B1 P28845 1/20 0.46

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
SCHEMBL9735965 0.87 PKM (0.51) KMT2AMGLLALDH1A1HPGDMEN1
SCHEMBL9736472 0.87 HSD11B1 (0.51) KMT2APOLBMGLLALDH1A1MEN1
SCHEMBL9734952 0.86 NAMPT (0.52) KMT2APOLBALDH1A1HPGDMEN1
SCHEMBL9736130 0.84 NAMPT (0.61) KMT2AALDH1A1HPGDMEN1AKR1C3
SCHEMBL9734991 0.84 HPGD (0.55) KMT2APOLBMGLLALDH1A1HPGD
SCHEMBL9735378 0.84 P2RX7 (0.51) MAPTPARP1
SCHEMBL9735743 0.83 KMT2A (0.61) KMT2APOLBMGLLALDH1A1HPGD
SCHEMBL9735532 0.82 PARP1 (0.49) KMT2APOLBMGLLMAPTALDH1A1
SCHEMBL7950882 0.81 NAMPT (0.51) KMT2APOLBALDH1A1MEN1PARP1
SCHEMBL7950888 0.81 NAMPT (0.51) KMT2APOLBALDH1A1MEN1PARP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5102882-A Nootropic agents NIPPON SHINYAKU CO., LTD. (JP) 1992-04-07 US disclosed