SCHEMBL23590633

SCHEMBL23590633

CCOC(=O)c1cc2c(cc1Br)nc(C)c(=O)n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.50
▸ ALDH1A1 P00352 8/20 0.50
▸ HPGD P15428 6/20 0.50
▸ GLA P06280 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KMT2A Q03164 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GAA P10253 4/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ STAT6 P42226 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ PDE2A O00408 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ BAZ2B Q9UIF8 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
SCHEMBL30183966 1.00 KDM4E (0.50) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL30183958 0.84 KMT2A (0.56) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL23577857 0.84 KMT2A (0.56) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL23578453 0.83 ALDH1A1 (0.56) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL30183827 0.83 ALDH1A1 (0.56) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL30623227 0.77 KMT2A (0.55) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL26119918 0.77 KMT2A (0.55) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL23578385 0.73 KDM4E (0.48) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL71222 0.72 TSHR (0.57) KDM4EALDH1A1SMN1; SMN2KMT2ANPSR1
SCHEMBL30036547 0.72 KMT2A (0.48) KDM4EALDH1A1HPGDKMT2ANPSR1

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-115605476-B Substituted tricyclic compounds 鲁宾有限公司 2024-05-24 — — CN disclosed
WO-2021130731-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2021-07-01 — — WO disclosed
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