SCHEMBL31522153

SCHEMBL31522153

COc1cc(C)cc(Oc2ccccc2NC(=O)CN)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 1/20 0.65
▸ MTNR1B P49286 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.53
▸ TSHR P16473 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ POLB P06746 3/20 0.48
▸ ATM Q13315 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ HPGD P15428 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL31522181 0.95 ADRA2C (0.72) ADRA2CMTNR1BALDH1A1TSHRUSP2
SCHEMBL31522174 0.92 ADRA2C (0.72) ADRA2CMTNR1BALDH1A1TSHRUSP2
SCHEMBL25386995 0.87 MTNR1B (0.75) ADRA2CMTNR1BALDH1A1TSHRUSP2
SCHEMBL31522179 0.85 ADRA2C (0.72) ADRA2CMTNR1BALDH1A1KMT2AL3MBTL1
SCHEMBL31522166 0.81 LMNA (0.50) MTNR1BALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL31522180 0.80 MTNR1B (0.50) ADRA2CMTNR1BALDH1A1TSHRUSP2
SCHEMBL18666145 0.80 ADRA2C (1.00) ADRA2CALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL1645833 0.79 ADRA2C (0.67) ADRA2CALDH1A1TSHRUSP2KMT2A
Hydrochloric Acid SCHEMBL7422552 0.78 ADRA2C (0.65) ADRA2CALDH1A1TSHRUSP2KMT2A
SCHEMBL18666586 0.76 ADRA2C (0.81) ADRA2CMTNR1BALDH1A1TSHRUSP2

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
WO-2025054318-A1 PCNA INHIBITORS AND USES THEREOF CITY OF HOPE (US) 2025-03-13 — — WO disclosed
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