SCHEMBL30970522

SCHEMBL30970522

NC(=O)c1ccc2c(c1CC1CCCO1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
TSHR P16473 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.36

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
SCHEMBL4763827 0.82 PARP1 (0.54) PARP1AURKARPS6KB1KMT2AMEN1
SCHEMBL30937791 0.72 PARP1 (0.50) PARP1AURKARPS6KB1KMT2AMEN1
SCHEMBL3330917 0.72 PARP1 (0.50) PARP1AURKARPS6KB1KMT2AMEN1
SCHEMBL8081042 0.69 KMT2A (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL368712 0.69 BCL2L1 (0.41) PARP1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL30839564 0.69 PARP1 (0.46) PARP1AURKARPS6KB1SMN1; SMN2ALDH1A1
SCHEMBL30969102 0.68 MAPT (0.47) KMT2AMEN1RAB9AALDH1A1HPGD
SCHEMBL4566904 0.67 HSD17B10 (0.41) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6436615 0.67 HSD17B10 (0.41) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3675628 0.66 POLB (0.46) PARP1AURKARPS6KB1KMT2AMEN1

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
WO-2024140968-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD AND USE THEREFOR 广州市联瑞制药有限公司 2024-07-04 WO disclosed