SCHEMBL10422352

SCHEMBL10422352

O=C1c2ccccc2C(=O)N1C=CCc1ccsc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4A O75164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CYP1A2 P05177 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL10422349 1.00 RPS6KA2 (0.35) RPS6KA2L3MBTL1MEN1KDM4AALDH1A1
SCHEMBL23830079 0.80 MAOB (0.50) L3MBTL1MEN1ALDH1A1KMT2ACYP1A2
SCHEMBL10421307 0.80 MAOB (0.50) L3MBTL1MEN1ALDH1A1KMT2ACYP1A2
SCHEMBL10421305 0.80 MAOB (0.50) L3MBTL1MEN1ALDH1A1KMT2ACYP1A2
SCHEMBL10423122 0.75 RPS6KA2 (0.50) RPS6KA2L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL10423125 0.75 RPS6KA2 (0.50) RPS6KA2L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL10421569 0.74 GAA (0.45) MEN1ALDH1A1MAPTKMT2ACYP1A2
SCHEMBL10421904 0.74 CYP1B1 (0.42) RPS6KA2L3MBTL1ALDH1A1KMT2ACYP1A2
SCHEMBL10421571 0.74 GAA (0.45) MEN1ALDH1A1MAPTKMT2ACYP1A2
SCHEMBL10421902 0.74 CYP1B1 (0.42) RPS6KA2L3MBTL1ALDH1A1KMT2ACYP1A2

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
US-4933325-A ANALGESICS, HYPOTENSIVE AGENTS G. D. SEARLE & CO. (US) 1990-06-12 US disclosed
US-4880829-A ANALGESICS, HYPOTENSIVE AGENTS G. D. SEARLE AND COMPANY (US) 1989-11-14 US disclosed
US-4822775-A ANALGESICS G. D. SEARLE & CO. (US) 1989-04-18 US disclosed
EP-0215297-A2 Substituted dipeptide amides G.D. Searle & Co. (US) 1987-03-25 EP disclosed