SCHEMBL11141216

SCHEMBL11141216

COc1ccc(-c2csc(NC(=O)C(=O)OCC(C)c3ccccc3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.59
▸ KMT2A Q03164 6/20 0.59
▸ MAPT P10636 5/20 0.59
▸ LMNA P02545 4/20 0.59
▸ RAB9A P51151 4/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ NPC1 O15118 3/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ MAPK1 P28482 3/20 0.59
▸ TP53 P04637 2/20 0.59
▸ ADORA3 P0DMS8 1/20 0.57
▸ APP P05067 1/20 0.57
▸ GSTO1 P78417 1/20 0.53
▸ ROCK2 O75116 3/20 0.52
▸ ROCK1 Q13464 3/20 0.52
▸ GAA P10253 2/20 0.51
▸ ALOX5 P09917 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51

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
SCHEMBL11135249 0.92 ROCK2 (0.54) MEN1KMT2AMAPTRAB9ANPC1
Tioxamast SCHEMBL2111615 0.82 LMNA (0.67) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL11139163 0.82 APP (0.61) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL10922779 0.79 GSTO1 (0.74) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL11137982 0.78 MEN1 (0.70) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL11136396 0.78 SMN1; SMN2 (0.61) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL11139118 0.76 PARP1 (0.69) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL11140728 0.76 NPC1 (0.62) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL11137133 0.75 RAB9A (0.58) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL10814398 0.74 MEN1 (0.83) MEN1KMT2AMAPTLMNARAB9A

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-4407810-A TREATMENT OF ALLERGIC DISORDERS BASF AKTIENGESELLSCHAFT (DE) 1983-10-04 — — US disclosed
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