SCHEMBL21903022

SCHEMBL21903022

C=C/C=C(\N=C/C=C(\C)S)c1nnc(-c2ccccn2)nn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.42
▸ KDM4E B2RXH2 7/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ LMNA P02545 3/20 0.32
▸ HTT P42858 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ MITF O75030 1/20 0.30
▸ SLC2A1 P11166 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL21098282 0.88 TP53 (0.49) TP53KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL21128809 0.80 TP53 (0.49) TP53KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL24565502 0.72 TP53 (0.55) TP53KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL25493745 0.69 TP53 (0.47) TP53KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL25525738 0.65 KDM4E (0.45) TP53KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL19155573 0.65 CES2 (0.41) TP53KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL29767699 0.65 TP53 (1.00) TP53KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL30694104 0.65 TP53 (1.00) TP53KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL2852298 0.65 TP53 (1.00) TP53KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL18792258 0.64 AKT1 (0.38) TDP1ALDH1A1

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-3501846-B1 RUBBER COMPOSITION FOR TIRES AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2020-04-22 — — EP disclosed
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