SCHEMBL28860797

SCHEMBL28860797

Cc1cc(C)cc(N(C)CC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSPO P30536 2/20 0.42
▸ TPMT P51580 1/20 0.41
▸ CA12 O43570 3/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ KEAP1 Q14145 2/20 0.39
▸ NFE2L2 Q16236 2/20 0.39
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL14143718 0.86 POLB (0.38) POLBGAATSPOCA12CA1
SCHEMBL19334460 0.81 ALDH1A1 (0.47) CA12CA1CA2CA9RXRA
SCHEMBL341742 0.81 PLA2G2A (0.47) POLBGAATSPOTPMTKEAP1
SCHEMBL15122362 0.81 KEAP1 (0.43) POLBTPMTKEAP1NFE2L2NPSR1
SCHEMBL3348892 0.79 KEAP1 (0.54) GAACA12CA1CA2CA9
SCHEMBL9795610 0.78 POLB (0.42) POLBGAATSPOTPMTKEAP1
SCHEMBL26558157 0.76 BLM (0.44) POLBGAATSPOTPMTKEAP1
SCHEMBL20322823 0.75 SMN1; SMN2 (0.45) POLBCA12CA1CA2CA9
SCHEMBL28486134 0.74 HDAC1 (0.41) POLBGAACA1CA2
SCHEMBL196635 0.74 KMT2A (0.49) POLBCA12CA2CA9HTT

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-108203438-A Condensed imidazole compound with indole amine 2,3-dioxygenase inhibitory activity 深圳微芯生物科技股份有限公司 2018-06-26 — — CN disclosed
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