SCHEMBL8311413

SCHEMBL8311413

O=C1C(=Cc2ccsc2)CCc2cc(OCCc3ncc[nH]3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 7/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP19A1 P11511 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.41
BCHE P06276 3/20 0.41
ACHE P22303 3/20 0.41
CYP26A1 O43174 1/20 0.39
ABCB1 P08183 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL8315680 0.87 MIF (0.56) MIFMAPTALDH1A1SMN1; SMN2CYP19A1
SCHEMBL8310722 0.85 MIF (0.48) MIFMAPTALDH1A1SMN1; SMN2CYP19A1
SCHEMBL8313933 0.83 MIF (0.45) MIFMAPTALDH1A1SMN1; SMN2CYP19A1
SCHEMBL8314428 0.83 MIF (0.49) MIFMAPTALDH1A1SMN1; SMN2CYP19A1
SCHEMBL6172883 0.81 MIF (0.41) MIFMAPTALDH1A1SMN1; SMN2CYP19A1
SCHEMBL6174426 0.81 MIF (0.41) MIFMAPTALDH1A1SMN1; SMN2CYP19A1
SCHEMBL8315233 0.81 MEN1 (0.41) MIFMAPTALDH1A1SMN1; SMN2CYP19A1
SCHEMBL8310575 0.78 CYP24A1 (0.52) MIFMAPTALDH1A1SMN1; SMN2CYP19A1
SCHEMBL8312312 0.78 MAOB (0.53)
SCHEMBL6170725 0.77 CYP19A1 (0.52) MIFMAPTALDH1A1SMN1; SMN2CYP19A1

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