SCHEMBL9641904

SCHEMBL9641904

CC(C(=O)c1c(O)sc2ccccc12)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ SAE1 Q9UBE0 1/20 0.49
▸ UBA2 Q9UBT2 1/20 0.49
▸ BCHE P06276 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRB3 P13945 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ MCL1 Q07820 1/20 0.41

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
SCHEMBL6234185 0.77 MCL1 (0.55) LMNAMAPK1MEN1POLBMAPT
SCHEMBL11379316 0.75 LMNA (0.49) LMNAMAPK1MEN1POLBMAPT
SCHEMBL10624355 0.72 LIMK1 (0.58) LMNAMAPK1MEN1POLBMAPT
SCHEMBL9642569 0.69 NPC1 (0.48) LMNAMAPK1MEN1POLBMAPT
Dibenzothiophene SCHEMBL28840356 0.68 GPR3 (0.58) LMNAMAPK1MEN1POLBMAPT
SCHEMBL702447 0.67 TDP1 (0.61) LMNAMAPK1MAPTRECQLNPSR1
SCHEMBL10894082 0.67 TDP1 (0.61) LMNAMAPK1MAPTRECQLNPSR1
SCHEMBL10624354 0.67 PTGS2 (0.59) LMNAMEN1KMT2APTGS2RXFP1
SCHEMBL9967691 0.66 MAPT (0.51) LMNAMAPK1MEN1POLBMAPT
Dibenzothiophene SCHEMBL27494049 0.65 GPR3 (0.61) LMNAMAPK1MEN1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5147889-A Antiinflammatory, analgesic CIBA-GEIGY CORPORATION (US) 1992-09-15 — — US disclosed
EP-0336886-B1 THIO COMPOUNDS CIBA-GEIGY AG (CH) 1992-08-26 — — EP disclosed
US-5051421-A Analgesics and antiinflammatory agents CIBA-GEIGY CORPORATION (US) 1991-09-24 — — US disclosed
EP-0336886-A1 Thio compounds CIBA-GEIGY AG (CH) 1989-10-11 — — EP disclosed
Send feedback