SCHEMBL11180901

SCHEMBL11180901

Brc1ccc(SCc2ncon2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAOB P27338 4/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAOA P21397 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ SLC29A1 Q99808 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL11351610 0.83 L3MBTL1 (0.45) MEN1KMT2AMAOBALDH1A1MAPT
SCHEMBL11178221 0.83 L3MBTL1 (0.47) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL11352659 0.83 CA2 (0.36) IDO1SMN1; SMN2L3MBTL1LMNAHSP90AA1
SCHEMBL11347391 0.83 L3MBTL1 (0.35) KMT2AIDO1ALDH1A1MAPTMAOA
SCHEMBL11174291 0.82 NPC1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11351617 0.79 RAB9A (0.41) IDO1ALDH1A1SMN1; SMN2L3MBTL1HTT
SCHEMBL11347085 0.79 L3MBTL1 (0.35) IDO1ALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL11180204 0.79 ALDH1A1 (0.35) MAOBIDO1ALDH1A1MAPTMAOA
Dimethylamine SCHEMBL11347087 0.77 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL11343239 0.76 ANPEP (0.39) IDO1ALDH1A1MAPTLMNA

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-0007529-B1 ANTIPROTOZOAL OXADIAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1983-07-20 — — EP disclosed
US-4294842-A MALARIA BURROUGHS WELLCOME CO. (US) 1981-10-13 — — US disclosed
EP-0007529-A1 Antiprotozoal oxadiazole derivatives, processes for their preparation and pharmaceutical formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1980-02-06 — — EP disclosed
Send feedback