SCHEMBL13537125

SCHEMBL13537125

CCC(C)(C)c1ccc(-c2nc3ccc(-c4ccc5nc(C(C)(C)C)[nH]c5c4)cc3[nH]2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPBWR1 P48145 2/20 0.41
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ SCD O00767 3/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL13536940 0.83 NPBWR1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1NPBWR1CYP3A4
SCHEMBL12693436 0.77 NPBWR1 (0.49) ALDH1A1NPC1SMN1; SMN2NPBWR1CYP3A4
SCHEMBL9058427 0.76 HDAC6 (0.62) ALDH1A1SMN1; SMN2NPBWR1CYP3A4SCD
SCHEMBL12306902 0.75 SCD (0.47) ALDH1A1NPC1SMN1; SMN2NPBWR1CYP3A4
SCHEMBL14315763 0.74 HDAC6 (0.43) ALDH1A1NPC1SMN1; SMN2L3MBTL1NPBWR1
SCHEMBL10052938 0.74 NPC1 (0.50) ALDH1A1NPC1SMN1; SMN2NPBWR1CYP3A4
SCHEMBL12693441 0.73 HDAC3 (0.42) ALDH1A1NPC1SMN1; SMN2NPBWR1CYP3A4
SCHEMBL26358087 0.72 HDAC6 (0.60) ALDH1A1NPC1SMN1; SMN2NPBWR1CYP3A4
SCHEMBL12693440 0.72 CYP3A4 (0.46) ALDH1A1NPC1SMN1; SMN2NPBWR1CYP3A4
SCHEMBL14315200 0.71 CYP3A4 (0.43) ALDH1A1NPC1SMN1; SMN2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649025-B2 Composite ion-exchange membrane TOYO BOSEKI KABUSHIKI KAISHA (JP) 2010-01-19 — — US disclosed
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