SCHEMBL9364601

SCHEMBL9364601

C=CCSc1nc([N+](=O)[O-])c[nH]1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ RECQL P46063 1/20 0.37
▸ HPGD P15428 4/20 0.35
▸ DHFR P00374 1/20 0.35
▸ PKM P14618 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL90862 0.73 KDM4E (0.34) MAPTKDM4E
SCHEMBL11876056 0.71 MEN1 (0.42) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL10752767 0.68 — —
SCHEMBL9370007 0.68 ALDH1A1 (0.33) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL8016907 0.67 — —
SCHEMBL7555586 0.66 — —
SCHEMBL1110848 0.66 MEN1 (0.44) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL6627174 0.66 HPGD (0.49) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL59107 0.66 MAPT (0.47) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL64072 0.66 CYP3A4 (0.33) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0095925-B2 Herbicidal imidazole, pyrazole, thiazole and isothiazole derivatives DU PONT (US) 1994-12-07 — — EP disclosed
US-4946496-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-07 — — US disclosed
US-4931081-A Herbicidal diazoles sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-06-05 — — US disclosed
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