SCHEMBL7702829

SCHEMBL7702829

CC(C)(C)Oc1cc(NC(=O)O)c(NC(=O)CC(=O)c2sccc2C#N)cc1-c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
DHODH Q02127 4/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
HPGD P15428 1/20 0.35
BLM P54132 1/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 3/20 0.33
RAB9A P51151 2/20 0.33
MAPK8 P45983 2/20 0.33
MAPK9 P45984 2/20 0.33
MAPK10 P53779 2/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL7143172 0.92 GAA (0.38) GAADHODHKMT2AMEN1HPGD
SCHEMBL7704530 0.81 DHODH (0.37) DHODHKMT2AMEN1POLBRAB9A
SCHEMBL7704536 0.79 DHODH (0.36) DHODHKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL5868988 0.78 KCNQ4 (0.37) GAAKMT2AMEN1HPGDBLM
SCHEMBL7143926 0.74 DHODH (0.34) DHODH
SCHEMBL7145960 0.73 EGLN2 (0.36) DHODHKMT2AMEN1
SCHEMBL7141050 0.72 CYP17A1 (0.35) DHODHKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL7703510 0.71 VCP (0.41)
SCHEMBL7704182 0.71 CYP3A4 (0.35) KMT2AMEN1SMN1; SMN2RAB9AMAPK10
SCHEMBL7704777 0.70 ALDH1A1 (0.39) LMNASMN1; SMN2RAB9AMAPTNPC1

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-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed