SCHEMBL8768002

SCHEMBL8768002

O=C(CCNC(=O)c1ccc(C(=O)CI)cc1)NCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP13 P45452 1/20 0.46
POLB P06746 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 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
SCHEMBL1663282 0.83 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL620074 0.78 POLB (0.66) ALDH1A1MEN1KMT2AMMP13POLB
SCHEMBL1663183 0.73 POLB (0.57) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL16789660 0.72 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2HPGDHTTGSK3B
SCHEMBL15576222 0.71 HDAC1 (0.65) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL23471096 0.71 POLB (0.58) ALDH1A1SMN1; SMN2MMP13POLBHPGD
SCHEMBL8142775 0.71 POLB (0.58) ALDH1A1SMN1; SMN2MAPTMMP13POLB
SCHEMBL7571666 0.70 LMNA (0.66) SMN1; SMN2KMT2APOLBHPGDHDAC3
SCHEMBL15947374 0.70
SCHEMBL1665183 0.70 OGG1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AMMP13

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
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed