SCHEMBL6570545

SCHEMBL6570545

[CH](CCc1ccccc1)c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.47
CES1 P23141 1/20 0.46
PDPK1 O15530 1/20 0.43
TRPA1 O75762 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR52 Q9Y2T5 3/20 0.38
KDM4E B2RXH2 1/20 0.37
RIOK2 Q9BVS4 1/20 0.36
GRM5 P41594 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL6657643 0.86 PDPK1 (0.46) PLA2G4ACES1PDPK1TRPA1L3MBTL1
SCHEMBL1989334 0.72
SCHEMBL27514365 0.72
SCHEMBL6657646 0.71 PDPK1 (0.48) PLA2G4ACES1PDPK1L3MBTL1SMN1; SMN2
SCHEMBL27587398 0.70 PLA2G4A (0.42) PLA2G4ACES1PDPK1L3MBTL1SMN1; SMN2
SCHEMBL6570898 0.69 ALDH1A1 (0.54) L3MBTL1SMN1; SMN2GPR52ALDH1A1MAPT
SCHEMBL946754 0.69 NPC1 (0.50) GPR52KDM4ETDP1USP2
SCHEMBL18554610 0.69 SLC6A3 (0.42) PLA2G4ACES1PDPK1L3MBTL1SMN1; SMN2
SCHEMBL9247585 0.69 FFAR2 (0.43) TRPA1L3MBTL1SMN1; SMN2KDM4EMAPT
SCHEMBL3388731 0.69 SMN1; SMN2 (0.40) PDPK1SMN1; SMN2KDM4ERIOK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404325-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2004-04-07 EP disclosed
WO-2002096420-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed
EP-1127049-A1 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL Holdings, Inc. (US) 2001-08-29 EP disclosed
EP-1011650-A1 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS Amgen Inc., (US) 2000-06-28 EP disclosed
WO-2000016603-A2 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL HOLDINGS, INC. (US) 2000-03-30 WO disclosed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 WO disclosed