SCHEMBL11683074

SCHEMBL11683074

Cc1cc(C)c2c(C(=O)C=Cc3ccc(Cl)cc3)occ2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.49
MAOA P21397 6/20 0.49
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
CXCL12 P48061 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
GUSB P08236 1/20 0.40

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
SCHEMBL11686209 0.81 MAOB (0.53) MAOBMAOAMEN1USP2KMT2A
SCHEMBL11686572 0.81 MAOB (0.48) MAOBMAOAMEN1KMT2ACYP1A2
SCHEMBL11684301 0.76 MAOB (0.47) MAOBMAOACYP1A2CXCL12ABCG2
SCHEMBL11683072 0.74 MAOB (0.56) MAOBMAOAMEN1USP2KMT2A
SCHEMBL11683065 0.74 MAOB (0.56) MAOBMAOAMEN1USP2KMT2A
SCHEMBL11687878 0.74 ABCG2 (0.50) MAOBMAOAMEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL11688059 0.73 ABCG2 (0.49) MAOBMAOAMEN1KMT2ACYP1A2
SCHEMBL11683918 0.73 CYP1B1 (0.56) MAOBMAOAMEN1KMT2ACYP1A2
SCHEMBL11683585 0.72 MAOB (0.58) MAOBMAOAMEN1KMT2AABCG2
SCHEMBL11685608 0.72 STAT3 (0.47) MAOBMAOAMEN1KMT2APOLB

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