SCHEMBL9794819

SCHEMBL9794819

Cc1csc(N2CC[N]CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 1/20 0.44
OGA O60502 2/20 0.43
MEN1 O00255 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
AR P10275 4/20 0.42
DPP4 P27487 1/20 0.41
POLB P06746 2/20 0.40
NOS1 P29475 1/20 0.38
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL9794796 0.93 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2LMNAOGAMEN1
SCHEMBL4472290 0.84 L3MBTL1 (0.54) L3MBTL1SMN1; SMN2LMNAOGAMEN1
SCHEMBL3511935 0.84 L3MBTL1 (0.54) L3MBTL1SMN1; SMN2LMNAOGAMEN1
SCHEMBL4469579 0.82 SMN1; SMN2 (0.53) L3MBTL1SMN1; SMN2LMNAOGAMEN1
SCHEMBL6929063 0.81 ALDH1A1 (0.54) L3MBTL1SMN1; SMN2LMNAOGAMEN1
SCHEMBL1713003 0.81 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2LMNAOGAMEN1
SCHEMBL2228747 0.79 BAZ2A (0.49) L3MBTL1SMN1; SMN2LMNAOGAMEN1
SCHEMBL4463690 0.79 LMNA (0.68) SMN1; SMN2LMNAMEN1ARALDH1A1
SCHEMBL23155993 0.78 L3MBTL1 (0.57) L3MBTL1SMN1; SMN2LMNAOGAMEN1
Hydrochloric Acid SCHEMBL17541490 0.78 BAZ2A (0.48) L3MBTL1SMN1; SMN2LMNAOGAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4987133-A Salicylic acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-01-22 US claimed
EP-0338352-A2 Salicylic acid derivatives MERCK PATENT GmbH (DE) 1989-10-25 EP claimed
JP-1311064-A None JP disclosed
US-4987133-A Salicylic acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-01-22 US disclosed
US-4987133-A Salicylic acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-01-22 US disclosed
EP-0338352-A3 SALICYLIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 1990-03-14 EP disclosed
JP-H01311064-A SALICYLIC ACID DERIVATIVES MERCK PATENT GMBH 1989-12-15 JP disclosed
EP-0338352-A2 Salicylic acid derivatives MERCK PATENT GmbH (DE) 1989-10-25 EP disclosed
EP-0338352-A2 Salicylic acid derivatives MERCK PATENT GmbH (DE) 1989-10-25 EP disclosed