SCHEMBL8910190

SCHEMBL8910190

O=Cc1cccc2c1Cc1ccccc1C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
BLM P54132 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
CYP1A2 P05177 1/20 0.39
ERN1 O75460 3/20 0.38
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOA P21397 1/20 0.35
CYP2A6 P11509 2/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL68230 0.80 PNMT (0.49) LMNAKMT2AMEN1THRBBLM
SCHEMBL29882364 0.80 PNMT (0.49) LMNAKMT2AMEN1THRBBLM
SCHEMBL6645889 0.76 PNMT (0.33) TSHRCYP1A2MAOACYP2A6DRD2
SCHEMBL27571863 0.76 MEN1 (0.39) LMNAKMT2AMEN1THRBBLM
SCHEMBL27956846 0.76 MAOA (0.53) LMNAKMT2AMEN1THRBBLM
SCHEMBL27800198 0.76 AHR (0.47) LMNAKMT2AMEN1THRBBLM
SCHEMBL22501131 0.76 ALDH1A1 (0.46) LMNAKMT2AMEN1THRBBLM
SCHEMBL27609605 0.75 PNMT (0.47) LMNAKMT2AMEN1THRBBLM
SCHEMBL2120191 0.72 MAOA (0.47) LMNAKMT2AMEN1THRBBLM
SCHEMBL29935665 0.71 CYP1A2 (0.48) LMNAALDH1A1TSHRCYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
EP-0691962-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1996-01-17 EP disclosed
WO-1994022842-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed
EP-0374097-A2 Use of peptide isosteres as retroviral protease inhibitors CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
EP-0374098-A2 Inhibitors of retroviral proteases CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed