SCHEMBL18376336

SCHEMBL18376336

Cc1ccc(F)c(OCCN2CCOCC2)c1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.63
▸ SYK P43405 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.57
▸ TSHR P16473 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ EPHX2 P34913 3/20 0.51
▸ NPC1 O15118 1/20 0.50

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
SCHEMBL13855801 0.89 POLB (0.59) POLBSYKKDM4ETSHRALDH1A1
SCHEMBL18374004 0.87 SMN1; SMN2 (0.67) KDM4ETSHRALDH1A1SMN1; SMN2
SCHEMBL12409038 0.83 SYK (0.71) POLBSYKKDM4ETSHRALDH1A1
SCHEMBL13963827 0.83 SYK (0.71) POLBSYKKDM4ETSHRALDH1A1
SCHEMBL13723046 0.83 POLB (0.63) POLBSYKKDM4ETSHRALDH1A1
SCHEMBL31539648 0.83 ALDH1A1 (0.59) POLBKDM4ETSHRALDH1A1EPHX2
SCHEMBL15872036 0.83 SMN1; SMN2 (0.74) POLBSYKKDM4ETSHRALDH1A1
SCHEMBL20347952 0.83 KDM4E (0.55) POLBKDM4ETSHRALDH1A1SMN1; SMN2
SCHEMBL20376289 0.83 HTT (0.57) POLBSYKKDM4ETSHRALDH1A1
SCHEMBL13855802 0.82 KDM4E (0.67) POLBKDM4ETSHRALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — WO disclosed
WO-2017006271-A1 DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CONTAINING AMINO SULFONYL LINKAGE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-01-12 — — WO disclosed
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