SCHEMBL30521247

SCHEMBL30521247

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 6/20 0.49
▸ TDO2 P48775 4/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ GSTP1 P09211 8/20 0.43
▸ GSTM2 P28161 8/20 0.43
▸ SLC5A2 P31639 1/20 0.41
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL31054075 0.87 IDO1 (0.46) IDO1MEN1KMT2AGSTP1GSTM2
SCHEMBL31053997 0.84 IDO1 (0.45) IDO1TDO2MEN1KMT2AGSTP1
SCHEMBL31054006 0.81 GSTP1 (0.53) IDO1TDO2MEN1KMT2AGSTP1
SCHEMBL31054063 0.81 MEN1 (0.53) IDO1TDO2MEN1KMT2AGSTP1
SCHEMBL25343517 0.80 IDO1 (0.49) IDO1TDO2MEN1KMT2AGSTP1
SCHEMBL25342570 0.79 MEN1 (0.44) IDO1TDO2MEN1KMT2AGSTP1
SCHEMBL25342264 0.78 IDO1 (0.47) IDO1TDO2MEN1KMT2AGSTP1
SCHEMBL31054034 0.75 MEN1 (0.46) IDO1TDO2MEN1KMT2AGSTP1
SCHEMBL25341098 0.73 POLB (0.47) IDO1TDO2MEN1KMT2AGSTP1
SCHEMBL31053971 0.72 MEN1 (0.55) IDO1TDO2MEN1KMT2AGSTP1

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 2 patents. 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
WO-2023143494-A1 NEW PROTAC COMPOUND 甘李药业股份有限公司 2023-08-03 — — WO disclosed
Send feedback