SCHEMBL7265353

SCHEMBL7265353

CNCCCc1nc2ccccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 2/20 0.57
ALOX15 P16050 1/20 0.57
ILK Q13418 2/20 0.54
LMNA P02545 2/20 0.53
UBE2T Q9NPD8 1/20 0.53
ASIC3 Q9UHC3 1/20 0.53
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR7 P34969 1/20 0.52
HPGD P15428 5/20 0.51
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 2/20 0.50
PDE10A Q9Y233 1/20 0.50
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49

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
Bromide SCHEMBL7267208 0.98 SMN1; SMN2 (0.56) SMN1; SMN2HTTALOX15ILKLMNA
SCHEMBL7266118 0.94 SMN1; SMN2 (0.55) SMN1; SMN2HTTALOX15ILKLMNA
SCHEMBL7265601 0.94 SMN1; SMN2 (0.55) SMN1; SMN2HTTALOX15ILKLMNA
SCHEMBL7435843 0.90 UBE2T (0.56) SMN1; SMN2HTTALOX15ILKLMNA
SCHEMBL9641726 0.84 SMN1; SMN2 (0.70) SMN1; SMN2HTTALOX15LMNAUBE2T
SCHEMBL27509034 0.83 SMN1; SMN2 (0.68) SMN1; SMN2HTTALOX15LMNAUBE2T
SCHEMBL2034241 0.81 SMN1; SMN2 (0.62) SMN1; SMN2HTTALOX15LMNAUBE2T
Bromide SCHEMBL11522514 0.81 SMN1; SMN2 (0.66) SMN1; SMN2HTTALOX15LMNAUBE2T
SCHEMBL19372016 0.80 UBE2T (0.70) SMN1; SMN2HTTALOX15LMNAUBE2T
SCHEMBL10268888 0.80 MAPT (0.45) SMN1; SMN2HTTALOX15ILKLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4026815-A ADDING A PHOSPHONOCARBOXYLIC ACID AND A BENZIMIDAZOLE DERIVATIVE BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US claimed
US-4000079-A ANTIFREEZE ADDITIVES BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US claimed
EP-0268148-B1 TETRAHYDRONAPHTHALENE DERIVATIVES AND MEDICAMENTS CONTAINING THEM F. HOFFMANN-LA ROCHE AG (CH) 1991-12-11 EP disclosed
US-4808605-A Tetrahydronaphthalene derivatives as calcium antagonists HOFFMANN-LA ROCHE INC. (US) 1989-02-28 US disclosed
EP-0268148-A1 Tetrahydronaphthalene derivatives and medicaments containing them F. HOFFMANN-LA ROCHE AG (CH) 1988-05-25 EP disclosed
EP-0226016-A1 Process for inhibiting hydrogen-induced corrosion of metallic materials BAYER AG (DE) 1987-06-24 EP disclosed
US-4235838-A IN OIL AND GAS WELLS PETROLITE CORPORATION (US) 1980-11-25 US disclosed
US-4026815-A ADDING A PHOSPHONOCARBOXYLIC ACID AND A BENZIMIDAZOLE DERIVATIVE BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US disclosed
US-4000079-A ANTIFREEZE ADDITIVES BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed
US-3988325-A 7-Carboxy or 2,2,2-trichloroethoxy carbonyl- cephalosporins ELI LILLY AND COMPANY (US) 1976-10-26 US disclosed
US-3962214-A Process for preparing amino substituted β-lactam antibiotics ELI LILLY AND COMPANY (US) 1976-06-08 US disclosed
US-3954731-A Process for preparing 6-alkoxypenicillanic and 7-alkoxycephalosporin acids ELI LILLY AND COMPANY (US) 1976-05-04 US disclosed