SCHEMBL22890833

SCHEMBL22890833

BCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
GLS O94925 1/20 0.54
DRD3 P35462 1/20 0.52
ALDH1A1 P00352 4/20 0.50
CASP3 P42574 3/20 0.48
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL7999168 0.81 GLS (0.61) CA12CA9GLSCASP3RAB9A
SCHEMBL2604740 0.79 CA12 (0.58) CA12CA9GLSDRD3ALDH1A1
SCHEMBL6699936 0.79 GLS (0.71) CA12CA9GLSCASP3RAB9A
SCHEMBL12676047 0.78 TDP1 (0.58) GLSRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7287742 0.77 CA12 (0.56) CA12CA9GLSALDH1A1CASP3
SCHEMBL13484960 0.76 TDP1 (0.61) GLSRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8586834 0.75 CA12 (0.54) CA12CA9GLSDRD3ALDH1A1
SCHEMBL1330864 0.75 CA12 (0.54) CA12CA9GLSDRD3ALDH1A1
SCHEMBL101555 0.75 CA12 (0.59) CA12CA9GLSDRD3ALDH1A1
SCHEMBL121199 0.75 ALDH1A1 (0.55) CA12CA9GLSDRD3ALDH1A1

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
WO-2023146822-A1 ULTRA-HIGH AMBIPOLAR MOBILITY CUBIC BORON ARSENIDE UNIVERSITY OF HOUSTON SYSTEM (US) 2023-08-03 WO disclosed
US-20210013731-A1 Charging Apparatus And Method Of Secondary Battery LG CHEM, LTD. (KR) 2021-01-14 US disclosed