SCHEMBL23329405

SCHEMBL23329405

Nc1cc(C(=O)O)cc(N2CCCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.49
▸ GAA P10253 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HRH4 Q9H3N8 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ USP2 O75604 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HPGD P15428 3/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ NUDT1 P36639 2/20 0.42

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
SCHEMBL23330166 0.82 NCF1 (0.52) HRH4NCF1
SCHEMBL23329535 0.81 HRH3 (0.41) HRH4
SCHEMBL23684245 0.81 HTR2A (0.46) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL17371701 0.79 ALDH1A1 (0.42) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL1424827 0.79 GBA1 (0.51) KDM4EGAAHSD17B10POLBTDP1
SCHEMBL23330165 0.79 CKS1B (0.48) HSD17B10HRH4SMN1; SMN2LMNATSHR
SCHEMBL23329690 0.79 CASP1 (0.50) HRH4PARP1
SCHEMBL23329777 0.77 DRD2 (0.42) HRH4
SCHEMBL23304390 0.76 CHRM3 (0.54) POLBHRH4ALDH1A1HPGDALOX12
SCHEMBL30290289 0.76 CHRM3 (0.54) POLBHRH4ALDH1A1HPGDALOX12

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-2021086879-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2021-05-06 — — WO disclosed
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