SCHEMBL8875211

SCHEMBL8875211

Cc1c(-c2cccs2)oc2c(C(=O)O)cccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPSR1 Q6W5P4 3/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
GPR35 Q9HC97 2/20 0.43
ALDH1A1 P00352 8/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 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
SCHEMBL8876304 0.85 ALDH1A1 (0.49) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL2480956 0.80 LMNA (0.63) LMNAMAPTSMN1; SMN2NPSR1GAA
Hydrochloric Acid SCHEMBL10956791 0.79 LMNA (0.61) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8876180 0.78 LMNA (0.60) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8876127 0.78 LMNA (0.59) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL10840587 0.78 LMNA (0.47) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL20919285 0.78 MCL1 (0.45) LMNAMAPTSMN1; SMN2GAAKDM4E
SCHEMBL31723157 0.78 MCL1 (0.45) LMNAMAPTSMN1; SMN2GAAKDM4E
SCHEMBL10842066 0.77 LMNA (0.48) LMNAMAPTSMN1; SMN2NPSR1GAA
SCHEMBL8875623 0.77 LMNA (0.56) LMNAMAPTSMN1; SMN2NPSR1GAA

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
CN-1040434-C Heterobicyclic compounds RECORDATI CHEM PHARM (CH) 1998-10-28 CN disclosed
US-5605896-A Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-02-25 US disclosed
US-5474994-A Treating hypertension, urethral and lower urinary tract contractions RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1995-12-12 US disclosed
CN-1079738-A Heterobicyclic compounds RECORDATI CHEM PHARM (CH) 1993-12-22 CN disclosed
WO-1993017007-A1 HETEROBICYCLIC COMPOUNDS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 1993-09-02 WO disclosed
EP-0558245-A1 Heterobicyclic compounds as antagogists of alpha-1 adrenergic and SHT1A receptors RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1993-09-01 EP disclosed