SCHEMBL11544400

SCHEMBL11544400

Cc1nc2c(=O)c3ccccc3oc2cc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.68
▸ KMT2A Q03164 4/20 0.68
▸ TBK1 Q9UHD2 1/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ KDM4E B2RXH2 5/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ TTR P02766 3/20 0.49
▸ MAOB P27338 2/20 0.46
▸ RECQL P46063 1/20 0.45
▸ GLA P06280 2/20 0.45
▸ MAOA P21397 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PGAM1 P18669 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45

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
SCHEMBL11356167 0.85 TBK1 (0.52) MEN1KMT2ATBK1RAB9ANPC1
SCHEMBL2901859 0.84 TBK1 (0.58) MEN1KMT2ATBK1RAB9ANPC1
SCHEMBL11549501 0.83 MEN1 (0.70) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL11099411 0.82 KMT2A (0.50) MEN1KMT2ATBK1RAB9ANPC1
SCHEMBL11549538 0.81 KDM4E (0.56) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL11362855 0.81 RAB9A (0.51) MEN1KMT2ATBK1RAB9ANPC1
SCHEMBL11550388 0.81 KMT2A (0.49) MEN1KMT2ATBK1RAB9ANPC1
SCHEMBL11099409 0.80 KMT2A (0.48) MEN1KMT2ATBK1RAB9ANPC1
SCHEMBL11551408 0.79 MAOA (0.50) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL11364238 0.75 RAB9A (0.57) MEN1KMT2ARAB9ANPC1KDM4E

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-4143042-A ANTIALLERGENS, BRONCHODILATOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-03-06 — — US claimed
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