SCHEMBL31054006

SCHEMBL31054006

CC(=O)NCCN(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 6/20 0.53
▸ GSTM2 P28161 6/20 0.53
▸ IDO1 P14902 4/20 0.46
▸ TDO2 P48775 3/20 0.46
▸ KCNH2 Q12809 1/20 0.44
▸ MYC P01106 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 1/20 0.39
▸ OPRK1 P41145 1/20 0.39

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
SCHEMBL25342570 0.83 MEN1 (0.44) GSTP1GSTM2IDO1TDO2KCNH2
SCHEMBL25342264 0.83 IDO1 (0.47) GSTP1GSTM2IDO1TDO2KCNH2
SCHEMBL30521247 0.81 IDO1 (0.49) GSTP1GSTM2IDO1TDO2KCNH2
SCHEMBL25343517 0.80 IDO1 (0.49) GSTP1GSTM2IDO1TDO2KCNH2
SCHEMBL30521257 0.75 KCNH2 (0.41) GSTP1GSTM2IDO1TDO2KCNH2
SCHEMBL25429997 0.74 MYC (0.40) GSTP1GSTM2KCNH2MYC
SCHEMBL31054036 0.74 MYC (0.40) GSTP1GSTM2KCNH2MYC
SCHEMBL31054063 0.73 MEN1 (0.53) GSTP1GSTM2IDO1TDO2MYC
SCHEMBL25343085 0.72 KCNH2 (0.35) GSTP1GSTM2IDO1TDO2KCNH2
SCHEMBL25342882 0.72 KCNH2 (0.37) GSTP1GSTM2IDO1TDO2KCNH2

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
CN-118574822-A Novel PROTAC compounds 甘李药业股份有限公司 2024-08-30 — — CN disclosed
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