SCHEMBL30002050

SCHEMBL30002050

COc1cc(F)c([N+](=O)[O-])cc1OCc1c(F)c(F)cc2nccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
PRKDC P78527 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CHEK1 O14757 1/20 0.35
CTSB P07858 1/20 0.33
NPC1 O15118 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL28892567 1.00 KMT2A (0.41) KMT2AMEN1LMNACASP3SENP8
SCHEMBL30003416 0.87 KMT2A (0.50) KMT2AMEN1LMNACASP3SENP8
SCHEMBL28892412 0.87 KMT2A (0.50) KMT2AMEN1LMNACASP3SENP8
SCHEMBL28892922 0.84 ALDH1A1 (0.43) KMT2AMEN1LMNACASP3SENP8
SCHEMBL30002047 0.84 ALDH1A1 (0.43) KMT2AMEN1LMNACASP3SENP8
SCHEMBL28892693 0.83 KMT2A (0.39) KMT2AMEN1LMNACASP3SENP8
SCHEMBL30002706 0.83 KMT2A (0.39) KMT2AMEN1LMNACASP3SENP8
SCHEMBL30002605 0.81 KIT (0.36) MAPTGAA
SCHEMBL28892170 0.81 KIT (0.36) MAPTGAA
SCHEMBL30003307 0.79 GNRHR (0.42) KMT2AMEN1LMNAALDH1A1MAPT

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-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed