SCHEMBL7704652

SCHEMBL7704652

COc1ccc2c(c1)CCC(=Cc1ccc(OC=S)cc1)C2=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 7/20 0.73
CYP26A1 O43174 3/20 0.73
ALDH1A1 P00352 3/20 0.70
MAPT P10636 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
CYP19A1 P11511 2/20 0.70
LMNA P02545 1/20 0.70
ABCB1 P08183 1/20 0.67
MAPK1 P28482 1/20 0.65
BCHE P06276 1/20 0.62
ACHE P22303 1/20 0.62
MAOB P27338 1/20 0.60
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 2/20 0.57
CYP27A1 Q02318 2/20 0.57
HPGD P15428 1/20 0.57
NFKB1 P19838 1/20 0.57

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
SCHEMBL6958968 0.90 MIF (0.85) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL14033508 0.87 MIF (0.81) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6967839 0.86 MIF (0.79) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8166049 0.85 MIF (0.77) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8169114 0.84 MIF (1.00) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8169116 0.84 MIF (1.00) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6827637 0.82 CYP19A1 (1.00) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6827633 0.82 CYP19A1 (1.00) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8938872 0.81 MIF (0.80) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL8541335 0.81 MIF (0.70) MIFCYP26A1ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6462036-B1 INHIBITING SIGNAL TRANSDUCTION BY MODULATING ACTIVITY OF RECEPTOR AND NONRECEPTOR TYROSINE AND SERINE/THREONINE KINASES TO REGULATE AND MODULATE ABNORMAL OR INAPPROPRIATE CELL PROLIFERATION, DIFFERENTIATION, OR METABOLISM BASF AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO disclosed