SCHEMBL11113470

SCHEMBL11113470

COc1cccc2cc(C(O)(Cc3ccccc3)c3ccc(Cl)cc3)oc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.45
▸ MEN1 O00255 6/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 5/20 0.43
▸ HTT P42858 4/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RECQL P46063 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MAPT P10636 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
SCHEMBL11108148 0.89 CYP1A2 (0.45) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL11106019 0.80 LMNA (0.46) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL11108233 0.79 CYP19A1 (0.52) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL10069982 0.70 LMNA (0.65) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL5722855 0.69 KMT2A (0.55) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL11887407 0.68 LMNA (0.54) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL11107533 0.67 RAB9A (0.79) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL978037 0.66 LMNA (0.77) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL13607694 0.66 LMNA (0.51) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL4747589 0.66 HTT (0.53) KMT2AMEN1SMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4485112-A N-[(Benzofuran-2-yl)(phenyl)methyl]-alkylene diamines useful in treating arrhythmic, histaminic and tussive conditions A. MENARINI S.A.S. (IT) 1984-11-27 — — US disclosed
Send feedback