SCHEMBL21128809

SCHEMBL21128809

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.49
▸ KDM4E B2RXH2 12/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ SMN1; SMN2 Q16637 8/20 0.35
▸ LMNA P02545 6/20 0.35
▸ HTT P42858 5/20 0.35
▸ HIF1A Q16665 3/20 0.35
▸ NPC1 O15118 5/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CCR1 P32246 2/20 0.34
▸ CCR5 P51681 2/20 0.34
▸ CCR8 P51685 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ DOHH Q9BU89 1/20 0.34
▸ P4HTM Q9NXG6 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
SCHEMBL21098282 0.89 TP53 (0.49) TP53KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL24565502 0.86 TP53 (0.55) TP53KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL21903022 0.80 TP53 (0.42) TP53KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL23046369 0.76 KDM4E (0.44) KDM4ETDP1SMN1; SMN2LMNAHTT
SCHEMBL19085444 0.76 AKT1 (0.38) TDP1ATMALDH1A1MAPK1
SCHEMBL25493745 0.75 TP53 (0.47) TP53KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL2852298 0.70 TP53 (1.00) TP53KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL30694104 0.70 TP53 (1.00) TP53KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL29767699 0.70 TP53 (1.00) TP53KDM4ETDP1SMN1; SMN2LMNA
SCHEMBL22334346 0.70 L3MBTL1 (0.35) TP53SMN1; SMN2LMNAHTTNPC1

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
EP-3597696-B1 RUBBER COMPOSITION FOR TIRES AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2023-05-17 — — EP disclosed
US-20190185643-A1 RUBBER COMPOSITION FOR TIRES AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2019-06-20 — — US disclosed
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