SCHEMBL23023710

SCHEMBL23023710

Cc1cnc2c(C)c(-c3ccccc3F)nn2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.42
▸ TSHR P16473 1/20 0.38
▸ MBNL1 Q9NR56 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAOB P27338 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ RECQL P46063 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KCNQ3 O43525 1/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RELA Q04206 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
SCHEMBL23023591 0.86 PTGS2 (0.40) PTGS2TSHRMBNL1LMNASMN1; SMN2
SCHEMBL25150557 0.84 KDM5B (0.40) PTGS2TSHRMBNL1LMNASMN1; SMN2
SCHEMBL23023564 0.82 DHODH (0.40) PTGS2TSHRKCNQ3KCNQ2DHODH
SCHEMBL29703817 0.77 JAK2 (0.47) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL23013510 0.77 JAK2 (0.47) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL23023602 0.72 HTR6 (0.41) PTGS2MBNL1SMN1; SMN2MAPTALDH1A1
SCHEMBL16646633 0.69 MAPT (0.44) PTGS2LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL25742238 0.66 PTGS2 (0.41) PTGS2SMN1; SMN2MAPTMAOBMAOA
SCHEMBL21490283 0.66 SCN9A (0.45) LMNA
SCHEMBL10091158 0.66 NPC1 (0.44) MBNL1SMN1; SMN2ALDH1A1NPC1MEN1

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-2021032992-A1 PHARMACEUTICAL COMPOUNDS ReViral Limited (GB) 2021-02-25 — — WO disclosed
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