SCHEMBL16901557

SCHEMBL16901557

C=C(NCCSSCCNC(=O)c1ccc(NN)nc1)c1ccc(NNCl)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ MMP12 P39900 2/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ NAMPT P43490 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP7 P09237 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL12834807 0.93 RAB9A (0.38) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL14015624 0.88 RAB9A (0.42) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL12834865 0.82 KDM4E (0.40) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL14000515 0.79 NNMT (0.51) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL12834733 0.78 MAPT (0.35) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL13315446 0.75 NPC1 (0.54) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL8126559 0.71 NNMT (0.42) MAPTKDM4EEPHX2GRM5
SCHEMBL12364920 0.69 EPHX2 (0.60) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL8515103 0.69 KDM4E (0.49) RAB9ANPC1MAPTKDM4EEPHX2
SCHEMBL217496 0.69 NNMT (0.49) MAPTKDM4ELMNAALDH1A1

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-B1 Hydrazine-based and carbonyl-based bifunctional crosslinking reagents SOLULINK INC (US) 2015-07-15 — — EP disclosed
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