SCHEMBL10936005

SCHEMBL10936005

NCOc1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.62
ADORA2A P29274 3/20 0.52
TTR P02766 1/20 0.49
MAOA P21397 2/20 0.44
MAOB P27338 1/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
EGFR P00533 3/20 0.43
MAPK1 P28482 3/20 0.43
PABPC1 P11940 1/20 0.43
NSD2 O96028 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL15471406 0.85 KCNA3 (0.66) KCNA3ADORA2ATTRMAOAMAOB
SCHEMBL3766191 0.83 ADORA2A (0.61) KCNA3ADORA2AMAOAMAOBRAB9A
SCHEMBL11654346 0.82 KCNA3 (0.62) KCNA3ADORA2ATTRMAOARAB9A
SCHEMBL6906659 0.82 TTR (0.68) KCNA3ADORA2ATTRRAB9ASMN1; SMN2
SCHEMBL1893344 0.79 ADORA2A (0.57) KCNA3ADORA2AMAOAMAOBRAB9A
SCHEMBL9754264 0.79 KCNA3 (0.63) KCNA3TTRMAOBMAPTALDH1A1
SCHEMBL28463533 0.79 KCNA3 (0.68) KCNA3ADORA2ATTRRAB9ASMN1; SMN2
SCHEMBL11604748 0.79 KCNA3 (0.68) KCNA3ADORA2ATTRRAB9ASMN1; SMN2
SCHEMBL2266343 0.79 KCNA3 (0.68) KCNA3ADORA2ATTRMAOARAB9A
SCHEMBL6415480 0.79 KCNA3 (0.57) KCNA3ADORA2ATTRMAOAMAOB

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-4503224-A FIBER-REACTIVE, COTTON-POLYESTER BLENDS BAYER AKTIENGESELLSCHAFT (DE) 1985-03-05 US disclosed
US-4080370-A Process for producing high purity methoxyanthraquinones MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JA) 1978-03-21 US disclosed