SCHEMBL31154218

SCHEMBL31154218

COc1ccc(-c2nc3cc(N)ccc3[nH]2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.61
▸ EPHX2 P34913 1/20 0.61
▸ KDM4E B2RXH2 7/20 0.59
▸ ALDH1A1 P00352 7/20 0.59
▸ HPGD P15428 5/20 0.59
▸ HSD17B10 Q99714 3/20 0.52
▸ MEN1 O00255 7/20 0.52
▸ KMT2A Q03164 7/20 0.52
▸ POLB P06746 5/20 0.52
▸ NPC1 O15118 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ PKM P14618 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ LMNA P02545 1/20 0.52
▸ GUSB P08236 2/20 0.52
▸ RXFP1 Q9HBX9 3/20 0.51
▸ GLA P06280 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ RECQL P46063 2/20 0.51
▸ USP2 O75604 2/20 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
SCHEMBL31154221 0.86 MEN1 (0.51) ALOX5EPHX2KDM4EALDH1A1HPGD
SCHEMBL15455607 0.84 ALOX5 (0.80) ALOX5EPHX2KDM4EALDH1A1HPGD
SCHEMBL11603170 0.84 ALOX5 (0.74) ALOX5EPHX2KDM4EALDH1A1HPGD
SCHEMBL30424886 0.83 AMY1A (0.63) ALOX5EPHX2KDM4EALDH1A1HPGD
SCHEMBL1662751 0.83 NPC1 (0.70) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL1655753 0.82 MEN1 (0.73) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL30533210 0.82 MEN1 (0.73) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL12470605 0.81 ALOX5 (0.70) ALOX5EPHX2KDM4EALDH1A1HPGD
SCHEMBL10002475 0.81 ALDH1A1 (0.71) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL159873 0.80 ALDH1A1 (0.74) KDM4EALDH1A1HPGDHSD17B10MEN1

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-2024219864-A1 NOVEL COMPOUND EXHIBITING SETDB1 INHIBITORY ACTIVITY, AND USE THEREOF 주식회사 넷타겟 2024-10-24 — — WO disclosed
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