SCHEMBL31054075

SCHEMBL31054075

CC(=O)N(Cc1ccc(-c2ccc(C)cc2)cc1)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ G6PD P11413 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ MYC P01106 1/20 0.44
▸ MAX P61244 1/20 0.44
▸ GSTP1 P09211 8/20 0.42
▸ GSTM2 P28161 8/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ SLC5A2 P31639 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL30521247 0.87 IDO1 (0.49) IDO1MEN1KMT2AGSTP1GSTM2
SCHEMBL31053997 0.76 IDO1 (0.45) IDO1MEN1KMT2AMYCGSTP1
SCHEMBL5246953 0.71 IDO1 (0.60) IDO1MEN1KMT2AG6PDCASP6
SCHEMBL14140891 0.71 MEN1 (0.54) MEN1KMT2AGSTP1GSTM2SLC5A2
SCHEMBL6834711 0.69 MEN1 (0.69) IDO1MEN1KMT2AG6PDCASP6
SCHEMBL3063567 0.69 MEN1 (0.52) MEN1KMT2AGSTP1GSTM2KCNH2
SCHEMBL31054006 0.69 GSTP1 (0.53) IDO1MEN1KMT2AMYCGSTP1
SCHEMBL18007677 0.69 KMT2A (0.61) IDO1MEN1KMT2AMYCMAX
SCHEMBL1076589 0.69 MEN1 (0.60) IDO1MEN1KMT2AG6PDCASP6
SCHEMBL31135832 0.68 MEN1 (0.56) IDO1MEN1KMT2AG6PDCASP6

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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