SCHEMBL11748860

SCHEMBL11748860

O=[N+]([O-])c1ccc(-c2nc(Cl)sc2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ RECQL P46063 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ APP P05067 3/20 0.47
▸ POLB P06746 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PTPN1 P18031 1/20 0.44
▸ CDC25B P30305 1/20 0.44

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
SCHEMBL11754079 0.95 MAPT (0.57) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL11756967 0.95 MAPT (0.57) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL11748896 0.94 KMT2A (0.71) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL11753885 0.94 KMT2A (0.71) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL2395876 0.83 RAB9A (0.49) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL10909889 0.82 MAPT (0.62) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL11756873 0.81 MAPT (0.54) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL11749316 0.81 MAPT (0.54) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL12491432 0.81 MAPT (0.61) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3886944 0.81 MAPT (0.89) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1

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
US-4051250-A OXAZOLE, THIAZOLE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 — — US disclosed
US-3933840-A ANTIPHLOGISTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-20 — — US disclosed
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