SCHEMBL8315329

SCHEMBL8315329

c1nc(CCOc2ccc3c(c2)CCCC3)c[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TSHR P16473 2/20 0.46
ALOX15 P16050 4/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
HRH1 P35367 1/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
PPARA Q07869 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40

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
SCHEMBL4379604 0.93 SMN1; SMN2 (0.47) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL4378238 0.90 SMN1; SMN2 (0.50) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL6171707 0.82 MAOB (0.61) HRH3
SCHEMBL10926632 0.79 HRH3 (0.55) HRH3
SCHEMBL9720056 0.77 PPARG (0.64) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL4383666 0.76 MAOB (0.62) HRH3
SCHEMBL7974933 0.75 TDP1 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1HRH3
Hydrochloric Acid SCHEMBL10926904 0.74 NQO2 (0.38) PPARGPPARDPPARA
SCHEMBL7973104 0.74 MAPT (0.43) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL7971472 0.73 HRH3 (0.48) SMN1; SMN2NPC1RAB9AHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966446-A1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1999-12-29 EP claimed
WO-1998034921-A1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1998-08-13 WO claimed