SCHEMBL19736095

SCHEMBL19736095

O=C(O)CN1C(=O)/C(=C/c2cccc(OC(=O)C3=CCCC=C3)c2)SC1=S

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.67
▸ KMT2A Q03164 6/20 0.67
▸ AKR1B1 P15121 9/20 0.65
▸ PTPN1 P18031 5/20 0.65
▸ MMP3 P08254 3/20 0.65
▸ MMP13 P45452 3/20 0.65
▸ GFER P55789 1/20 0.61
▸ ADAMTS5 Q9UNA0 1/20 0.59
▸ POLB P06746 3/20 0.57
▸ PTPN2 P17706 1/20 0.57
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SYK P43405 1/20 0.54

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
SCHEMBL29408605 0.83 AKR1B1 (0.77) MEN1KMT2AAKR1B1PTPN1MMP3
SCHEMBL19736094 0.83 AKR1B1 (0.77) MEN1KMT2AAKR1B1PTPN1MMP3
SCHEMBL6887504 0.79 AKR1B1 (1.00) MEN1KMT2AAKR1B1PTPN1MMP3
SCHEMBL6887509 0.79 AKR1B1 (1.00) MEN1KMT2AAKR1B1PTPN1MMP3
SCHEMBL19736241 0.78 MEN1 (0.73) MEN1KMT2AAKR1B1PTPN1MMP3
SCHEMBL19736049 0.76 AKR1B1 (1.00) MEN1KMT2AAKR1B1PTPN1MMP3
SCHEMBL6887214 0.76 AKR1B1 (1.00) MEN1KMT2AAKR1B1PTPN1MMP3
SCHEMBL6887210 0.76 AKR1B1 (1.00) MEN1KMT2AAKR1B1PTPN1MMP3
SCHEMBL10492260 0.74 AKR1B1 (0.72) MEN1KMT2AAKR1B1PTPN1MMP3
SCHEMBL10492255 0.74 AKR1B1 (0.72) MEN1KMT2AAKR1B1PTPN1MMP3

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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