SCHEMBL11070877

SCHEMBL11070877

COc1cccc(NC(=O)c2nnn[nH]2)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ AHR P35869 1/20 0.40
▸ MLYCD O95822 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL11641360 0.84 MAPT (0.41) KMT2AMEN1ALDH1A1CYP1A2HPGD
SCHEMBL11069591 0.81 MEN1 (0.39) KMT2AMEN1ALDH1A1CYP1A2HPGD
SCHEMBL10513702 0.81 NPSR1 (0.39) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL11076825 0.81 GABRA1 (0.41) KMT2AMEN1ALDH1A1CYP1A2HPGD
SCHEMBL11072771 0.80 GPR35 (0.40) KMT2AMEN1HPGDRAB9ANPC1
SCHEMBL11071748 0.78 IRAK4 (0.37) KMT2AMEN1ALDH1A1CYP1A2HPGD
SCHEMBL11597102 0.77 GSK3B (0.47) KMT2AMEN1MAPTTSHRMAPK1
SCHEMBL11067209 0.76 NPC1 (0.51) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL11562864 0.74 KLKB1 (0.53) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL4677801 0.73 LMNA (0.52) KMT2AMEN1ALDH1A1HPGDRAB9A

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-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 — — US claimed
US-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 — — US disclosed
Send feedback