SCHEMBL28218534

SCHEMBL28218534

O=C(Nc1cccc(O)c1)c1ccccc1.c1cc2cc(c1)C2

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.69
▸ MEN1 O00255 7/20 0.69
▸ KCNK3 O14649 6/20 0.65
▸ KCNK9 Q9NPC2 4/20 0.65
▸ RAB9A P51151 6/20 0.61
▸ NPC1 O15118 5/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ TP53 P04637 2/20 0.61
▸ MAPT P10636 3/20 0.58
▸ LMNA P02545 2/20 0.58
▸ SIRT1 Q96EB6 1/20 0.58
▸ POLB P06746 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ HPGD P15428 1/20 0.56
▸ PKM P14618 1/20 0.53

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
SCHEMBL28860008 0.92 MEN1 (0.76) KMT2AMEN1KCNK3KCNK9RAB9A
SCHEMBL2385408 0.91 KMT2A (0.83) KMT2AMEN1KCNK3KCNK9RAB9A
SCHEMBL22589002 0.83 SIRT1 (0.79) KMT2AMEN1KCNK3KCNK9RAB9A
SCHEMBL29800565 0.82 MEN1 (0.93) KMT2AMEN1KCNK3KCNK9RAB9A
SCHEMBL11675529 0.82 MEN1 (1.00) KMT2AMEN1KCNK3KCNK9RAB9A
SCHEMBL6793906 0.82 MEN1 (0.93) KMT2AMEN1KCNK3KCNK9RAB9A
SCHEMBL3656361 0.80 NPC1 (0.78) KMT2AMEN1KCNK3KCNK9RAB9A
SCHEMBL21707396 0.80 MEN1 (0.89) KMT2AMEN1KCNK3KCNK9RAB9A
SCHEMBL2063559 0.80 KMT2A (0.77) KMT2AMEN1KCNK3KCNK9RAB9A
SCHEMBL28218536 0.80 KCNK3 (0.60) KMT2AMEN1KCNK3KCNK9RAB9A

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
CN-107973727-A Between disubstituted benzenes phenolic compounds and preparation method thereof and anti-tubercle bacillus application 中山大学 2018-05-01 — — CN claimed
CN-107973727-A Between disubstituted benzenes phenolic compounds and preparation method thereof and anti-tubercle bacillus application 中山大学 2018-05-01 — — CN disclosed
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