SCHEMBL9616652

SCHEMBL9616652

COc1cccc(-c2ccccc2-c2nc(=O)cco2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
F2 P00734 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
MAOB P27338 3/20 0.45
NOTUM Q6P988 2/20 0.45
BRD4 O60885 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL6244930 0.80 GPR55 (0.47) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL2020140 0.76 ABL1 (0.59) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL2876291 0.74 CLK4 (0.56) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL3455245 0.73 ABL1 (0.60) RAB9ANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL13211663 0.73 ABL1 (0.60) ALDH1A1ADORA2AADORA1MAOBBRD4
SCHEMBL8630704 0.70 NPC1 (0.48) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL130959 0.69 ALDH1A1 (0.44) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL30516664 0.69 CASR (0.58) RAB9ANPC1ALDH1A1HPGDKMT2A
SCHEMBL28036144 0.69 CASR (0.58) RAB9ANPC1ALDH1A1HPGDKMT2A
SCHEMBL10023268 0.69 ACHE (0.64) RAB9ANPC1ALDH1A1HPGDKMT2A

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
EP-0502013-A1 USE OF HETEROCYCLIC COMPOUNDS AS BLEACH ACTIVATORS OR OPTICAL LIGHTENERS IN WASHING AND CLEANING AGENTS. BASF AG (DE) 1992-09-09 EP disclosed