SCHEMBL29546196

SCHEMBL29546196

CNc1ccc2c(c1)CCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.44
BRD1 O95696 1/20 0.44
BRPF1 P55201 1/20 0.44
DYRK1A Q13627 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
CLK1 P49759 1/20 0.43
CTNNB1 P35222 6/20 0.42
WNT3A P56704 6/20 0.42
QPCT Q16769 1/20 0.42
NOTUM Q6P988 1/20 0.41
PRKCI P41743 1/20 0.41
RIPK1 Q13546 1/20 0.41
PKLR P30613 1/20 0.40
PIR O00625 1/20 0.39
HSF1 Q00613 1/20 0.39
MAPT P10636 2/20 0.38
PKM P14618 2/20 0.38
DYRK3 O43781 1/20 0.38
PIM1 P11309 1/20 0.38
CSNK2A2 P19784 1/20 0.38

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
SCHEMBL23432653 1.00 TRIM24 (0.44) TRIM24BRD1BRPF1DYRK1ADYRK1B
SCHEMBL317647 0.89 PKLR (0.48) DYRK1ADYRK1BQPCTPRKCIPKLR
Hydrochloric Acid SCHEMBL507190 0.87 PKLR (0.47) DYRK1ADYRK1BQPCTPRKCIPKLR
SCHEMBL13760630 0.86 QPCT (0.42) TRIM24BRD1BRPF1CTNNB1WNT3A
SCHEMBL24783881 0.83 TRIM24 (0.43) TRIM24BRD1BRPF1DYRK1ADYRK1B
SCHEMBL16670328 0.81 CTNNB1 (0.43) TRIM24BRD1BRPF1DYRK1ADYRK1B
SCHEMBL12196111 0.79 CYP1A2 (0.51) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2245406 0.79 CYP1A2 (0.65) CTNNB1WNT3AQPCTPIRHSF1
SCHEMBL29739444 0.79 CYP1A2 (0.65) CTNNB1WNT3AQPCTPIRHSF1
SCHEMBL18175882 0.79 TRIM24 (0.54) TRIM24BRD1BRPF1DYRK1ADYRK1B

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
CN-113214231-B 5HT2A receptor antagonists and their medical uses 瀚远医药有限公司 2022-04-08 CN disclosed