SCHEMBL8069935

SCHEMBL8069935

O=C1c2ccccc2C(Br)C(Br)c2c1ccc1c2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
EDNRB P24530 2/20 0.35
EDNRA P25101 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
AKR1B1 P15121 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CES1 P23141 2/20 0.33
BCHE P06276 1/20 0.33
CDC25B P30305 1/20 0.32
ANPEP P15144 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 0.79 MAOA (0.38) MAOACYP1A2MAPK1EDNRBEDNRA
SCHEMBL7138059 0.79 MAOA (0.38) MAOACYP1A2MAPK1EDNRBEDNRA
SCHEMBL8087837 0.78 MEN1 (0.52) MAOACYP1A2MAPK1EDNRBEDNRA
SCHEMBL8087901 0.78 MEN1 (0.52) MAOACYP1A2MAPK1EDNRBEDNRA
SCHEMBL8074346 0.75 MAOA (0.35) MAOACYP1A2MAPK1EDNRBEDNRA
SCHEMBL19164165 0.69 MAPK1 (0.62) CYP1A2MAPK1EDNRBEDNRAMEN1
SCHEMBL9765532 0.68 S100A4 (0.50) CYP1A2MAPK1EDNRBEDNRAMEN1
SCHEMBL6902840 0.66 MEN1 (0.52) MAOACYP1A2MAPK1EDNRBEDNRA
SCHEMBL8909384 0.66 MAPT (0.48) MAOAMAPK1MEN1KMT2AKDM4E
SCHEMBL7959774 0.66 MAPK1 (0.44) MAOACYP1A2MAPK1EDNRBEDNRA

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