SCHEMBL8074346

SCHEMBL8074346

O=C1c2ccccc2C(F)C(Cl)c2c1ccc1c2C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
AKR1B1 P15121 1/20 0.35
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
S100A4 P26447 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
BCHE P06276 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL8058687 0.87 MAOA (0.38) MAOAAKR1B1EDNRBEDNRAS100A4
SCHEMBL7138059 0.87 MAOA (0.38) MAOAAKR1B1EDNRBEDNRAKDM4E
SCHEMBL7590047 0.66
SCHEMBL8069075 0.66
SCHEMBL7558089 0.65 TAAR1 (0.34) ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL16425772 0.64 MAOA (0.55) MAOAEDNRBEDNRAKDM4EMEN1
SCHEMBL6904734 0.63 MEN1 (0.52) MAOAEDNRBEDNRAS100A4KDM4E
SCHEMBL12460888 0.63 EDNRB (0.43) MAOAEDNRBEDNRAS100A4KDM4E
SCHEMBL8909384 0.63 MAPT (0.48) MAOAKDM4EMEN1NPC1ALDH1A1
SCHEMBL7959774 0.63 MAPK1 (0.44) MAOAEDNRBEDNRAS100A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6087365-A TREATING DRUG-RESISTANT MALARIA IN A MAMMAL ELI LILLY AND COMPANY 2000-07-11 US disclosed
US-5889007-A CHEMISENSITIZING AGENTS; CANCER THERAPY DRUG RESISTANCE SYNTEX (U.S.A.) INC. (US) 1999-03-30 US disclosed
US-5874434-A SENSITIZERS FOR CANCER DRUGS SYNTEX (U.S.A.) INC. (US) 1999-02-23 US disclosed
EP-0695293-B1 10,11-METHANODIBENZOSUBERANE DERIVATIVES USED AS CHEMOSENSITIZING AGENTS SYNTEX INC (US) 1998-10-14 EP disclosed
EP-0866063-A1 10, 11-Methanodibenzosuberane derivatives used as chemosensitizing agents SYNTEX (U.S.A.) INC. (US) 1998-09-23 EP disclosed
US-5654304-A CHEMOSENSITIZING AGENTS; CANCER THERAPY; DRUG RESISTANCE SYNTEX (U.S.A.) INC. (US) 1997-08-05 US disclosed
US-5643909-A CHEMICAL SENSITIZERS FOR CANCER CHEMOTHERAPY FOR MULTIDRUG RESISTANCE SYNTEX (U.S.A.) INC. (US) 1997-07-01 US disclosed
EP-0695293-A1 10,11-METHANODIBENZOSUBERANE DERIVATIVES USED AS CHEMOSENSITIZING AGENTS SYNTEX (U.S.A.) INC. (US) 1996-02-07 EP disclosed
WO-1994024107-A1 10,11-METHANODIBENZOSUBERANE DERIVATIVES USED AS CHEMOSENSITIZING AGENTS SYNTEX (U.S.A.) INC. (US) 1994-10-27 WO disclosed