SCHEMBL9366743

SCHEMBL9366743

CCC(C(=NO)c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
KCNQ2 O43526 2/20 0.43
HTT P42858 1/20 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
SCHEMBL14253816 0.77 ALDH1A1 (0.41) LMNAHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL4875739 0.76 LMNA (0.53) LMNAHSD17B10ALDH1A1HDAC3HDAC4
Benzophenone SCHEMBL27761907 0.76 LMNA (0.57) LMNAHSD17B10ALDH1A1HDAC3HDAC4
SCHEMBL17115020 0.76 NOS3 (0.47) LMNAHSD17B10ALDH1A1CRHBPCRHR2
SCHEMBL9285950 0.75 CYP3A4 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL25644878 0.75 MEN1 (0.49) LMNAHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL27425745 0.75 MEN1 (0.47) LMNAHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL10910457 0.75 LMNA (0.51) LMNAHSD17B10ALDH1A1HDAC3HDAC4
SCHEMBL13177046 0.74 LMNA (0.55) LMNAHSD17B10ALDH1A1HDAC3HDAC4
SCHEMBL50454 0.73 LMNA (0.80) LMNAHSD17B10ALDH1A1HDAC3HDAC4

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-0346791-B1 1,2-diarylethylamines for treatment of neurotoxic injury SEARLE & CO (US) 1994-04-06 EP disclosed
EP-0346791-A1 1,2-diarylethylamines for treatment of neurotoxic injury G.D. Searle & Co. (US) 1989-12-20 EP disclosed