SCHEMBL9850330

SCHEMBL9850330

c1cc2c(c(NCCNCCNc3cccc4cccnc34)c1)CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
NSD2 O96028 1/20 0.42
BLM P54132 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41

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
Hydrochloric Acid SCHEMBL9850654 0.82 HTT (0.55) HTTSMN1; SMN2NPSR1RXRARXRB
Hydrochloric Acid SCHEMBL9850493 0.81 MEN1 (0.52) HTTNPSR1MEN1KMT2AALDH1A1
SCHEMBL522650 0.79 MEN1 (0.59) HTTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL9850488 0.78 MAPT (0.54) HTTNPSR1MEN1KMT2AALDH1A1
SCHEMBL9850257 0.76 MEN1 (0.51) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9850384 0.76 HTR1A (0.59) HTTSMN1; SMN2NPSR1ACHE
SCHEMBL9850506 0.75 HTR1A (0.48) HTTNPSR1MEN1KMT2AALDH1A1
SCHEMBL9850354 0.75 HTT (0.48) HTTSMN1; SMN2NPSR1RXRARXRB
SCHEMBL9850386 0.75 MEN1 (0.64) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9850394 0.74 SLC40A1 (0.55) HTTMEN1KMT2AALDH1A1KDM4E

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-0443862-A1 Triamine derivatives and their acid-addition salts SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-28 EP disclosed