SCHEMBL29238643

SCHEMBL29238643

CC1CN(C(=O)O)Cc2cc(Br)ccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.49
CAMK2A Q9UQM7 1/20 0.40
ABHD6 Q9BV23 4/20 0.40
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
HSP90AA1 P07900 1/20 0.36
HSD17B3 P37058 2/20 0.35
QRFPR Q96P65 1/20 0.35
HTT P42858 1/20 0.35
NAMPT P43490 1/20 0.35
SRD5A1 P18405 2/20 0.35
SRD5A2 P31213 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL20425694 0.85 ESR1 (0.52) KIF11ABHD6KDM4EESR1ESR2
SCHEMBL29104009 0.84 KIF11 (0.44) KIF11CAMK2AABHD6DPP8DPP9
SCHEMBL29238589 0.84 ESR2 (0.49) KIF11ABHD6HSP90AA1ESR1ESR2
SCHEMBL20425577 0.83 ESR1 (0.51) KIF11ABHD6ESR1ESR2
SCHEMBL12279527 0.81 USP30 (0.47) KIF11ABHD6NAMPTKDM4EESR2
SCHEMBL30970501 0.81 USP30 (0.47) KIF11ABHD6NAMPTKDM4EESR2
SCHEMBL31597608 0.81 USP30 (0.47) KIF11ABHD6NAMPTKDM4EESR2
SCHEMBL38664529 0.79 KIF11 (0.42) KIF11ABHD6DPP8DPP9DPP7
SCHEMBL13886242 0.78 ABHD6 (0.59) ABHD6KMT2A
SCHEMBL19643493 0.76 AKR1B1 (0.43) KIF11ABHD6DPP8DPP9DPP7

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-117956996-A Compounds and methods for YAP/TEAD modulation and indications therefor OPNA 生物公司 2024-04-30 CN disclosed