SCHEMBL10815326

SCHEMBL10815326

COCCOc1cc(N)c2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 3/20 0.49
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
THRB P10828 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
RAB9A P51151 2/20 0.49
FGB P02675 1/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
KDM4E B2RXH2 2/20 0.47
USP2 O75604 2/20 0.47
MCL1 Q07820 2/20 0.47
GRK6 P43250 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL2256398 0.86 MEN1 (0.44) ADORA2AMEN1KMT2AMAPTALDH1A1
SCHEMBL13671210 0.84 TERT (0.48) ADORA2AMEN1KMT2AMAPTALDH1A1
SCHEMBL29403891 0.83 MEN1 (0.41) ADORA2AMEN1KMT2AMAPTALDH1A1
SCHEMBL10973315 0.83 MEN1 (0.41) ADORA2AMEN1KMT2AMAPTALDH1A1
SCHEMBL10809856 0.83 MEN1 (0.68) ADORA2AMEN1KMT2AMAPTALDH1A1
SCHEMBL460432 0.82 MAPT (0.66) ADORA2AMEN1KMT2AMAPTALDH1A1
SCHEMBL11798707 0.80 MEN1 (0.43) ADORA2AMEN1KMT2AMAPTALDH1A1
SCHEMBL6346322 0.80 ADORA2A (0.49) ADORA2AMEN1KMT2AMAPTALDH1A1
SCHEMBL6340784 0.78 KCNA3 (0.66) ADORA2AMEN1KMT2AMAPTALDH1A1
SCHEMBL11155643 0.78 MEN1 (0.47) ADORA2AMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4676803-A Reactive azo dyestuffs, free from anionic groups and containing a basic group and halogenotriazinyl radical and useful for dyeing cellulose/polyester BAYER AKTIENGESELLSCHAFT (DE) 1987-06-30 US disclosed
US-4503224-A FIBER-REACTIVE, COTTON-POLYESTER BLENDS BAYER AKTIENGESELLSCHAFT (DE) 1985-03-05 US disclosed
EP-0022209-A2 Fluor-triazine dyestuffs and their use in dyeing cellulosic fibrous materials BAYER AG (DE) 1981-01-14 EP disclosed