SCHEMBL9586602

SCHEMBL9586602

CN1[C@@H]2CCC[C@H]1C[C@H](N1C(=O)c3cccc4c(N)ccc(c34)C1=O)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 7/20 0.57
KMT2A Q03164 7/20 0.57
KEAP1 Q14145 6/20 0.57
NFE2L2 Q16236 6/20 0.57
MEN1 O00255 6/20 0.57
ATM Q13315 2/20 0.57
TLR9 Q9NR96 1/20 0.51
CYP1B1 Q16678 1/20 0.50
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR2B P41595 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
HTR3A P46098 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
RGS12 O14924 2/20 0.45
RECQL P46063 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL9585724 1.00 USP2 (0.57) USP2KMT2AKEAP1NFE2L2MEN1
SCHEMBL9585727 1.00 USP2 (0.57) USP2KMT2AKEAP1NFE2L2MEN1
Hydrochloric Acid SCHEMBL9586264 0.94 USP2 (0.58) USP2KMT2AKEAP1NFE2L2MEN1
Hydrochloric Acid SCHEMBL7271509 0.94 USP2 (0.58) USP2KMT2AKEAP1NFE2L2MEN1
Hydrochloric Acid SCHEMBL7271510 0.94 USP2 (0.58) USP2KMT2AKEAP1NFE2L2MEN1
SCHEMBL7646060 0.84 KEAP1 (0.57) USP2KMT2AKEAP1NFE2L2MEN1
SCHEMBL9585587 0.83 MEN1 (0.59) USP2KMT2AKEAP1NFE2L2MEN1
SCHEMBL9586980 0.83 MEN1 (0.59) USP2KMT2AKEAP1NFE2L2MEN1
SCHEMBL9585602 0.83 MEN1 (0.59) USP2KMT2AKEAP1NFE2L2MEN1
SCHEMBL7271838 0.83 HTR3A (0.42) USP2KMT2AKEAP1NFE2L2MEN1

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-5202318-A Antiserotonine, antiemetic agents SYNTEX (U.S.A.) INC. (US) 1993-04-13 US disclosed