SCHEMBL30003222

SCHEMBL30003222

COc1cccc2c1C(=O)C(Cl)=C(N)C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.54
PIM1 P11309 1/20 0.54
MAPT P10636 5/20 0.53
RAB9A P51151 3/20 0.53
HTT P42858 2/20 0.53
MAPK1 P28482 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
KDM4E B2RXH2 2/20 0.53
S1PR4 O95977 1/20 0.53
HSP90AA1 P07900 1/20 0.53
G6PD P11413 1/20 0.53
S1PR1 P21453 1/20 0.53
OPRK1 P41145 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
MCL1 Q07820 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
TLR9 Q9NR96 1/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51

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
SCHEMBL23271950 1.00 EGFR (0.54) EGFRPIM1MAPTRAB9AHTT
SCHEMBL30003259 0.86 MAPT (0.66) EGFRPIM1MAPTRAB9AHTT
SCHEMBL23271812 0.86 MAPT (0.66) EGFRPIM1MAPTRAB9AHTT
SCHEMBL9628316 0.82 MAPT (0.55) EGFRPIM1MAPTRAB9AHTT
SCHEMBL30003510 0.81 MAPT (0.74) MAPTRAB9AHTTMAPK1NPSR1
SCHEMBL23271721 0.81 MAPT (0.74) MAPTRAB9AHTTMAPK1NPSR1
SCHEMBL7805708 0.81 EGFR (0.54) EGFRPIM1MAPTRAB9AHTT
SCHEMBL3417492 0.80 EGFR (0.76) EGFRPIM1MAPTRAB9AHTT
SCHEMBL8947495 0.79 EGFR (0.73) EGFRPIM1MAPTRAB9AHTT
SCHEMBL10813504 0.78 ALDH1A1 (0.65) EGFRPIM1MAPTRAB9AHTT

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed