SCHEMBL8882405

SCHEMBL8882405

CCCCCCC(CCCCCC)NC(=O)c1cc([N+](=O)[O-])c2c3cccc4cccc(c5c([N+](=O)[O-])cc(C(N)=O)c1c52)c43

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPT P10636 5/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TACR3 P29371 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL8882408 0.87 SMN1; SMN2 (0.43) SMN1; SMN2MAPTKMT2ATACR3HTT
SCHEMBL8885183 0.80 SMN1; SMN2 (0.43) SMN1; SMN2MAPTKMT2AMEN1TACR3
SCHEMBL3623844 0.78 TACR3 (0.37) KMT2ATACR3KDM4EL3MBTL1
SCHEMBL8885186 0.75 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1TACR3HTT
SCHEMBL4313304 0.72 TACR3 (0.41) KMT2ATACR3KDM4EL3MBTL1ALDH1A1
SCHEMBL5013693 0.71 KDM4E (0.41) KMT2ATACR3KDM4EL3MBTL1
SCHEMBL8883577 0.70 TAS1R3 (0.36) MAPTKMT2AMEN1TACR3KDM4E
SCHEMBL28638357 0.69 CDK2 (0.56) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL28645727 0.69 CDK2 (0.43) GLAKDM4EL3MBTL1ALDH1A1
SCHEMBL8883095 0.69 TAS1R3 (0.35) MAPTKMT2AMEN1TACR3

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
Send feedback