SCHEMBL6582698

SCHEMBL6582698

C=CCSc1c[nH]c(SCc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ DAO P14920 1/20 0.38

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
SCHEMBL7690488 0.73 RAB9A (0.39) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL6627174 0.72 HPGD (0.49) RAB9AMEN1KMT2AL3MBTL1HPGD
SCHEMBL6623681 0.71 RAB9A (0.47) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL6629853 0.71 HTT (0.50) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL5831443 0.69 RAB9A (0.49) RAB9ANPC1KMT2ALMNAMAPT
SCHEMBL5142643 0.68 TP53 (0.36) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL8077429 0.67 ALDH1A1 (0.42) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL3715462 0.67 HPGD (0.45) RAB9ANPC1MEN1KMT2AHPGD
SCHEMBL7007073 0.67 PLA2G7 (0.49) RAB9ANPC1MAOBMAPTSMN1; SMN2
SCHEMBL11333071 0.66 MEN1 (0.34) MEN1KMT2AL3MBTL1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112265-B1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2004-01-14 — — EP disclosed
US-6432988-B1 RHEUMATIC DISEASES, (OSTEO)ARTHRITIS, CACHEXIA, INFLAMMATORY BOWEL DISEASE, TOXIC SHOCK SYNDROME, SEPSIS, CROHN*S DISEASE, PSORIASIS AND GOUT TREATMENT MERCKLE GMBH (DE) 2002-08-13 — — US disclosed
EP-1112265-A1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2001-07-04 — — EP disclosed
WO-2000017192-A1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2000-03-30 — — WO disclosed
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