SCHEMBL8384256

SCHEMBL8384256

COC(=O)CNC(=O)c1cccc(NC(=O)CN2CCN(C(=N)N)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 5/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 3/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPK10 P53779 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
SCHEMBL8381940 0.90 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL7913440 0.90 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL7907917 0.89 MEN1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL8386238 0.88 HTT (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL8384540 0.88 NPC1 (0.46) MAPTPOLB
SCHEMBL8380840 0.86 ITGB3 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL7913420 0.85 LMNA (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL7900164 0.83 MEN1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL7907929 0.82 MEN1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL7913458 0.82 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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-5908843-A Piperazine compounds as fibrinogen inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-06-01 US disclosed