SCHEMBL31276830

SCHEMBL31276830

CN(C(=O)c1ccccc1)c1ccccc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CASP3 P42574 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD11B1 P28845 1/20 0.43
NR1H3 Q13133 2/20 0.43
NR1H2 P55055 1/20 0.43
HTT P42858 1/20 0.42
GRM1 Q13255 1/20 0.42
HPGD P15428 2/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL29009680 0.86 HPGD (0.50) RAB9ANPC1LMNACASP3SMN1; SMN2
SCHEMBL9001643 0.86 KMT2A (0.53) RAB9ANPC1LMNATP53CASP3
SCHEMBL30758071 0.84 NR1H4 (0.48) RAB9ANPC1LMNAKMT2ANR1H3
SCHEMBL2092009 0.82 CA12 (0.41) RAB9ANPC1TP53SMN1; SMN2KMT2A
SCHEMBL31389173 0.82 RAB9A (0.44) RAB9ANPC1LMNASMN1; SMN2HPGD
SCHEMBL8812454 0.81 KMT2A (0.49) RAB9ANPC1LMNATP53CASP3
SCHEMBL29009650 0.80 PLAU (0.49) RAB9ANPC1TP53CASP3SMN1; SMN2
SCHEMBL29009651 0.80 MAOB (0.56) RAB9ANPC1SMN1; SMN2EGFR
SCHEMBL28726963 0.80 EGFR (0.39) RAB9ANPC1LMNATP53CASP3
SCHEMBL3807892 0.79 ALDH1A1 (0.51) KMT2AKDM4EALDH1A1

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-118880358-A Method for electrochemically synthesizing phenanthridinone and spiro oxindole compound 桂林医学院 2024-11-01 CN claimed
CN-118880358-A Method for electrochemically synthesizing phenanthridinone and spiro oxindole compound 桂林医学院 2024-11-01 CN disclosed