SCHEMBL8882408

SCHEMBL8882408

CCCCCCC(CCCCCC)NC(=O)c1cc([N+](=O)[O-])c2c3cccc4cccc(c5c([N+](=O)[O-])ccc1c52)c43

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GLA P06280 1/20 0.40
▸ TACR3 P29371 3/20 0.38
▸ HTT P42858 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GSR P00390 1/20 0.34
▸ TXNRD1 Q16881 1/20 0.34
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL8882405 0.87 SMN1; SMN2 (0.40) SMN1; SMN2GLATACR3HTTMAPT
SCHEMBL8885186 0.82 SMN1; SMN2 (0.48) SMN1; SMN2GLATACR3HTTALDH1A1
SCHEMBL8885183 0.76 SMN1; SMN2 (0.43) SMN1; SMN2GLATACR3HTTMAPT
SCHEMBL4313304 0.74 TACR3 (0.41) TACR3ALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL3623844 0.72 TACR3 (0.37) TACR3KDM4EKMT2AL3MBTL1CNR2
SCHEMBL8883099 0.69 TAS1R3 (0.39) TACR3KDM4EKMT2AL3MBTL1CNR2
SCHEMBL28175896 0.68 ALDH1A1 (0.39) MAPTALDH1A1CYP1A2CYP3A4GSR
SCHEMBL5013693 0.68 KDM4E (0.41) TACR3KDM4EKMT2AL3MBTL1CNR2
SCHEMBL11617237 0.67 PLK1 (0.48) TACR3ALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL28645727 0.67 CDK2 (0.43) GLAALDH1A1CYP3A4KDM4EL3MBTL1

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
US-5650513-A Process for preparing perylene-3,4-dicarboxylic acid derivatives, the derivatives thus prepared and their use CIBA-GEIGY CORPORATION (US) 1997-07-22 — — US disclosed
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