SCHEMBL13892802

SCHEMBL13892802

CCC(C)(C)c1ccc(-c2ccc(-c3ccc(C(C)C)cc3)c3nsnc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ PTPN5 P54829 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ CASR P41180 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ HIF1A Q16665 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
SCHEMBL14435170 0.90 NPC1 (0.39) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL13553389 0.85 KIF11 (0.37) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL12348738 0.80 RAB9A (0.34) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL3630819 0.78 NPC1 (0.50) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL13846358 0.76 — —
SCHEMBL22245948 0.76 RAB9A (0.36) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL16450316 0.75 CNR1 (0.32) CNR1CNR2
SCHEMBL15165408 0.75 CNR1 (0.32) CNR1CNR2
SCHEMBL14493024 0.74 CNR2 (0.33) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL14463577 0.74 KIF11 (0.37) NPC1RAB9ASMN1; SMN2LMNAKDM4E

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
EP-2048176-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE Sumitomo Chemical Company, Limited (JP) 2009-04-15 — — EP disclosed
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