SCHEMBL6970049

SCHEMBL6970049

OC1(C2CC2)c2ccccc2CSc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HSD17B3 P37058 1/20 0.38
CCR1 P32246 6/20 0.37
POLB P06746 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
SCHEMBL7295187 0.90 L3MBTL1 (0.70) L3MBTL1SMN1; SMN2MAPK1LMNAHTT
SCHEMBL8199172 0.78 MAPK1 (0.46) L3MBTL1SMN1; SMN2MAPK1GAAPOLB
SCHEMBL2151191 0.76 MAPK1 (0.77) L3MBTL1SMN1; SMN2MAPK1LMNA
SCHEMBL13379763 0.72 LMNA (0.48) SMN1; SMN2LMNAHTTNPSR1ALDH1A1
SCHEMBL21801631 0.70 MAPK1 (0.53) L3MBTL1SMN1; SMN2MAPK1
SCHEMBL10517641 0.69 LMNA (0.49) L3MBTL1SMN1; SMN2LMNAHTTNPSR1
SCHEMBL13051516 0.68 SMN1; SMN2 (0.51) L3MBTL1SMN1; SMN2MAPK1LMNAHSD17B3
SCHEMBL9181736 0.68 MAPK1 (0.64) L3MBTL1SMN1; SMN2MAPK1LMNA
SCHEMBL13379639 0.68 LMNA (0.42) SMN1; SMN2LMNAHTTNPSR1ALDH1A1
SCHEMBL13921299 0.67 MAPK1 (0.82) L3MBTL1SMN1; SMN2MAPK1

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
EP-0934313-B1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2003-05-14 EP disclosed
EP-0934312-B1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK AS (DK) 2003-03-19 EP disclosed
EP-0869954-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF NEUROGENIC INFLAMMATION NOVO NORDISK AS (DK) 2001-09-19 EP disclosed
US-6133268-A 1,4-disubstituted piperazines NOVO NORDISK A/S (DK) 2000-10-17 US disclosed
US-6040302-A ANTIINFLAMMATORY AGENTS TREATING RHEUMATOID ARTHRITIS, MIGRAINE OR ITCHING, INSULIN RESISTANCE IN NON-INSULIN-DEPENDENT DIABETES MELLITUS AND AGEING-ASSOCIATED OBESITY NOVO NORDISK A/S (DK) 2000-03-21 US disclosed
US-6004961-A ANTIINFLAMMATORY AGENTS, ANALGESICS; NON-INSULIN-DEPENDENT DIABETES; AGE-RELATED OBESITY; DIBENZO(D,G)(1,3,6)DIOXAZOCINE DERIVATIVES NOVO NORDISK A/S (DK) 1999-12-21 US disclosed
US-6004983-A ANALGESICS; ANTIINFLAMMATORY, ANTIARTHRITIC AND ANTIDIABETIC AGENTS NOVO NORDISK A/S (DE) 1999-12-21 US disclosed
EP-0869954-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-10-14 EP disclosed
WO-1996031499-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed