SCHEMBL8304511

SCHEMBL8304511

CN(Cc1ccccc1)C(=O)C(N)CN

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
KMT2A Q03164 5/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 3/20 0.49
RIPK1 Q13546 1/20 0.47
AOC3 Q16853 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
HSP90AA1 P07900 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
SCHEMBL900941 0.87 HPGD (0.69) HPGDNPC1RAB9ACA12CA9
Hydrochloric Acid SCHEMBL6503199 0.85 HPGD (0.67) HPGDNPC1RAB9ACA12CA9
SCHEMBL27598559 0.85 HPGD (0.58) HPGDNPC1RAB9ACA12CA9
Hydrochloric Acid SCHEMBL7452576 0.85 HPGD (0.67) HPGDNPC1RAB9ACA12CA9
SCHEMBL1337896 0.84 HPGD (0.56) HPGDNPC1RAB9ACA12CA9
SCHEMBL13995143 0.84 HPGD (0.60) HPGDNPC1RAB9ACA12CA9
SCHEMBL10401033 0.83 HPGD (0.73) HPGDNPC1RAB9ACA12CA9
SCHEMBL1007948 0.83 HPGD (0.68) HPGDNPC1RAB9ACA12CA9
SCHEMBL3220549 0.83 HPGD (0.68) HPGDNPC1RAB9ACA12CA9
SCHEMBL1007950 0.83 HPGD (0.68) HPGDNPC1RAB9ACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833633-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-03-24 EP claimed
EP-0833633-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-08 EP claimed
EP-0833633-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-03-24 EP disclosed
EP-0833633-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-08 EP disclosed