SCHEMBL29661920

SCHEMBL29661920

COC(=O)c1csc2c(Cl)cc(C3CC3)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.37
▸ TP53 P04637 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ POLB P06746 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NQO2 P16083 3/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TMIGD3 P0DMS9 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL22866803 1.00 LMNA (0.37) LMNATP53MAPTPOLBSMN1; SMN2
SCHEMBL29214617 0.84 POLB (0.43) LMNAMAPTPOLBSMN1; SMN2KDM4E
SCHEMBL21813838 0.81 KDM4E (0.43) MAPTPOLBSMN1; SMN2KDM4ENQO2
SCHEMBL29560681 0.81 KDM4E (0.43) MAPTPOLBSMN1; SMN2KDM4ENQO2
SCHEMBL27319832 0.80 NQO2 (0.39) MAPTSMN1; SMN2KDM4EHPGDNQO2
SCHEMBL29559836 0.80 NQO2 (0.39) MAPTSMN1; SMN2KDM4EHPGDNQO2
SCHEMBL19554465 0.72 KDM4E (0.43) MAPTPOLBSMN1; SMN2KDM4ENQO2
SCHEMBL29267467 0.72 SLC6A3 (0.41) LMNATP53MAPTPOLBSMN1; SMN2
SCHEMBL24533128 0.71 RAB9A (0.47) LMNATP53MAPTPOLBSMN1; SMN2
SCHEMBL22866806 0.70 PSMD14 (0.42) MAPTPOLBSMN1; SMN2KDM4EHPGD

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
EP-3994139-A1 EIF4E-INHIBITING 4-OXO-3,4-DIHYDROPYRIDO[3,4-D]PYRIMIDINE COMPOUNDS Effector Therapeutics Inc. (US) 2022-05-11 — — EP disclosed
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