SCHEMBL19736241

SCHEMBL19736241

O=C(O)CN1C(=O)/C(=C/c2cccc(OCC3=CCCC=C3F)c2)SC1=S

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.73
▸ KMT2A Q03164 7/20 0.73
▸ POLB P06746 3/20 0.73
▸ AKR1B1 P15121 9/20 0.72
▸ PTPN1 P18031 5/20 0.72
▸ MMP3 P08254 3/20 0.72
▸ MMP13 P45452 3/20 0.72
▸ GFER P55789 1/20 0.72
▸ NPC1 O15118 1/20 0.65
▸ RAB9A P51151 1/20 0.65
▸ PTPN2 P17706 1/20 0.63
▸ ADAMTS5 Q9UNA0 1/20 0.60
▸ SYK P43405 1/20 0.57

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
SCHEMBL25994081 0.89 MEN1 (0.73) MEN1KMT2APOLBAKR1B1PTPN1
SCHEMBL6887214 0.84 AKR1B1 (1.00) MEN1KMT2APOLBAKR1B1PTPN1
SCHEMBL6887210 0.84 AKR1B1 (1.00) MEN1KMT2APOLBAKR1B1PTPN1
SCHEMBL19736049 0.84 AKR1B1 (1.00) MEN1KMT2APOLBAKR1B1PTPN1
SCHEMBL19736240 0.84 MEN1 (1.00) MEN1KMT2APOLBAKR1B1PTPN1
SCHEMBL29408621 0.84 MEN1 (1.00) MEN1KMT2APOLBAKR1B1PTPN1
SCHEMBL19736239 0.83 AKR1B1 (0.69) MEN1KMT2APOLBAKR1B1PTPN1
SCHEMBL25997106 0.83 AKR1B1 (0.72) MEN1KMT2APOLBAKR1B1PTPN1
SCHEMBL29408626 0.81 MEN1 (1.00) MEN1KMT2APOLBAKR1B1PTPN1
SCHEMBL19736085 0.81 MEN1 (1.00) MEN1KMT2APOLBAKR1B1PTPN1

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-3468555-B1 COMPOSITIONS FOR USE IN TREATING BACTERIAL INFECTIONS VERSITECH LTD (HK) 2023-08-09 — — EP disclosed
WO-2017215552-A1 ANTIMICROBIAL COMPOUNDS AND METHODS FOR USE THEREOF THE UNIVERSITY OF HONG KONG (CN) 2017-12-21 — — WO disclosed
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