SCHEMBL7701204

SCHEMBL7701204

O=C1C(=Cc2ccc(O)cc2)Cc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 7/20 1.00
▸ MAOB P27338 7/20 0.76
▸ MAOA P21397 6/20 0.76
▸ CES2 O00748 1/20 0.72
▸ STK17B O94768 1/20 0.71
▸ CYP19A1 P11511 2/20 0.68
▸ TNF P01375 2/20 0.68
▸ TYR P14679 1/20 0.65
▸ PTGS2 P35354 1/20 0.63
▸ MEN1 O00255 1/20 0.62
▸ ACHE P22303 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62

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
SCHEMBL7002746 1.00 MIF (1.00) MIFMAOBMAOACES2STK17B
SCHEMBL14033556 0.87 MIF (0.81) MIFMAOBMAOACES2STK17B
SCHEMBL3700238 0.86 MAOB (1.00) MIFMAOBMAOASTK17BCYP19A1
SCHEMBL2981650 0.86 MAOB (1.00) MIFMAOBMAOASTK17BCYP19A1
SCHEMBL30462578 0.86 MAOB (1.00) MIFMAOBMAOASTK17BCYP19A1
SCHEMBL3694617 0.86 MAOB (1.00) MIFMAOBMAOASTK17BCYP19A1
SCHEMBL30462577 0.86 MAOB (1.00) MIFMAOBMAOASTK17BCYP19A1
SCHEMBL30977980 0.86 MAOB (1.00) MIFMAOBMAOASTK17BCYP19A1
SCHEMBL29013407 0.86 MIF (1.00) MIFMAOBCYP19A1MEN1KMT2A
SCHEMBL21169395 0.86 MIF (1.00) MIFMAOBCYP19A1MEN1KMT2A

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 1 patent. 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
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