SCHEMBL12834865

SCHEMBL12834865

CNNc1ccc(C(=O)NCCSSCCNC(=O)c2ccc(NNCl)nc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 4/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HCAR3 P49019 3/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NNMT P40261 1/20 0.37
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL14015624 0.94 RAB9A (0.42) KDM4EMAPTRAB9AKMT2ANPC1
SCHEMBL12834807 0.88 RAB9A (0.38) KDM4EMAPTRAB9AKMT2ANPC1
SCHEMBL16901557 0.82 RAB9A (0.34) KDM4EMAPTRAB9AKMT2ANPC1
SCHEMBL14000515 0.78 NNMT (0.51) KDM4EMAPTRAB9AKMT2ANPC1
SCHEMBL12834733 0.75 MAPT (0.35) KDM4EMAPTRAB9AKMT2ANPC1
SCHEMBL12590041 0.73 KDM4E (0.40) KDM4EMAPTRAB9AKMT2AHCAR3
SCHEMBL12646651 0.73 MEN1 (0.40) KDM4EMAPTRAB9AKMT2ANPC1
SCHEMBL18518055 0.71 MAPT (0.42) KDM4EMAPTRAB9AKMT2ANPC1
SCHEMBL13315446 0.70 NPC1 (0.54) KDM4EMAPTRAB9AKMT2ANPC1
SCHEMBL9605928 0.69 HCAR3 (0.73) HCAR3NNMT

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-2298736-A1 Hydrazine-based and carbonyl-based bifunctional crosslinking reagents Solulink, Inc. (US) 2011-03-23 — — EP disclosed
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