SCHEMBL11683072

SCHEMBL11683072

Cc1cc(C)c2oc(C(=O)C=Cc3ccc(Cl)cc3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.56
MAOA P21397 6/20 0.56
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
BCHE P06276 1/20 0.43
RAF1 P04049 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.42
CXCL12 P48061 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL11683065 1.00 MAOB (0.56) MAOBMAOAALDH1A1MAPTLMNA
SCHEMBL11686192 0.81 MAOB (0.58) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL11686198 0.81 MAOB (0.58) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL11686567 0.81 MAOB (0.53) MAOBMAOAALDH1A1MAPTMEN1
SCHEMBL11686561 0.81 MAOB (0.53) MAOBMAOAALDH1A1MAPTMEN1
Formic Acid SCHEMBL11683586 0.78 MAOB (0.54) MAOBMAOAALDH1A1MAPTLMNA
SCHEMBL11684295 0.75 MAOB (0.56) MAOBMAOAMEN1KMT2AUSP2
SCHEMBL11684299 0.75 MAOB (0.56) MAOBMAOAMEN1KMT2AUSP2
SCHEMBL11687872 0.75 KMT2A (0.60) MAOBMAOAALDH1A1MAPTLMNA
SCHEMBL11687864 0.75 KMT2A (0.60) MAOBMAOAALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4006234-A Substituted 2-benzofuranyl propenones as anti-tubercular agents AMERICAN CYANAMID COMPANY (US) 1977-02-01 US disclosed
US-3931157-A ANTITUBERCULAR AMERICAN CYANAMID COMPANY (US) 1976-01-06 US disclosed