SCHEMBL27832374

SCHEMBL27832374

c1ccc(-c2csc(C3CCN(c4ccccn4)CC3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.67
▸ NPC1 O15118 4/20 0.67
▸ RAB9A P51151 4/20 0.67
▸ LMNA P02545 2/20 0.67
▸ TP53 P04637 2/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ HTT P42858 1/20 0.67
▸ HPGDS O60760 1/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ HPGD P15428 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ AVPR1A P37288 3/20 0.46
▸ FAAH O00519 1/20 0.46
▸ SCN9A Q15858 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 3/20 0.45
▸ CYP2C9 P11712 3/20 0.45

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
SCHEMBL1366372 0.78 L3MBTL1 (0.56) MAPTNPC1RAB9ALMNATP53
SCHEMBL2970766 0.76 L3MBTL1 (0.52) MAPTNPC1RAB9ATP53HPGDS
SCHEMBL2981893 0.76 SLC18A3 (0.50) MAPTNPC1RAB9ATP53HPGDS
SCHEMBL3763231 0.76 FAAH (0.61) HPGDSSMN1; SMN2L3MBTL1FAAHSCN9A
Cyanide SCHEMBL27913373 0.76 L3MBTL1 (0.57) MAPTNPC1RAB9ALMNATP53
SCHEMBL18711879 0.74 FAAH (0.59) TP53MAPK1HPGDSSMN1; SMN2HSD17B10
SCHEMBL2297392 0.74 HPGDS (0.78) MAPTNPC1RAB9ALMNATP53
SCHEMBL25393063 0.73 NPC1 (0.46) MAPTNPC1RAB9ALMNATP53
SCHEMBL25394959 0.73 NPC1 (0.46) MAPTNPC1RAB9ALMNATP53
SCHEMBL25393059 0.73 NPC1 (0.46) MAPTNPC1RAB9ALMNATP53

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
CN-102099354-B Azole compound ASTELLAS PHARMA INC 2013-07-10 — — CN disclosed
CN-102099354-A Azole compound ASTELLAS PHARMA INC 2011-06-15 — — CN disclosed
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