SCHEMBL11683237

SCHEMBL11683237

CCOc1cccc2coc(C(=O)C=Cc3ccc(Cl)cc3)c12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.50
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
MAOA P21397 4/20 0.39
EGFR P00533 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39

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
SCHEMBL11687878 0.88 ABCG2 (0.50) MAOBMAPTLMNASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL11688059 0.87 ABCG2 (0.49) MAOBMAPTLMNASMN1; SMN2NPC1
SCHEMBL11683231 0.76 MAOB (0.50) MAOBMAPTLMNAATMSMN1; SMN2
SCHEMBL11683229 0.76 MAOB (0.50) MAOBMAPTLMNAATMSMN1; SMN2
SCHEMBL6238514 0.76 L3MBTL1 (0.44) MAPTLMNANPC1RAB9AKMT2A
SCHEMBL11686572 0.74 MAOB (0.48) MAOBMAPTKMT2AABCG2MAOA
SCHEMBL11683918 0.74 CYP1B1 (0.56) MAOBMAPTKMT2AMAOACYP1A1
SCHEMBL11683074 0.71 MAOB (0.49) MAOBKMT2AABCG2MAOA
SCHEMBL11684301 0.69 MAOB (0.47) MAOBABCG2MAOACYP1A1CYP1B1
SCHEMBL10933442 0.69 USP2 (0.45) MAPTLMNASMN1; SMN2NPC1RAB9A

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