SCHEMBL25360224

SCHEMBL25360224

Cc1cc(Br)c2nc(-c3ccccc3)oc(=O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ ELANE P08246 1/20 0.51
▸ MAOB P27338 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ KDM4E B2RXH2 6/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ POLB P06746 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ PTK2B Q14289 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HPGD P15428 3/20 0.43
▸ C1R P00736 2/20 0.43
▸ F2 P00734 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7170099 0.83 NOTUM (0.45) RAB9ANPC1ELANEKDM4EALDH1A1
SCHEMBL22952937 0.78 NPC1 (0.51) RAB9ANPC1ELANERXFP1KDM4E
SCHEMBL13587068 0.77 ELANE (0.54) RAB9ANPC1ELANERXFP1KDM4E
SCHEMBL913895 0.77 NPC1 (0.70) RAB9ANPC1ELANERXFP1KDM4E
SCHEMBL12744508 0.72 NPC1 (0.73) RAB9ANPC1ELANERXFP1KDM4E
SCHEMBL25361146 0.72 RAB9A (0.48) RAB9AELANEMAOBRXFP1KDM4E
SCHEMBL25363387 0.72 TNKS (0.58) RAB9ANPC1KDM4EALDH1A1POLB
SCHEMBL25359782 0.72 ADORA2B (0.43) MAOBKDM4EALDH1A1KMT2AMEN1
SCHEMBL30494909 0.72 ADORA2B (0.43) MAOBKDM4EALDH1A1KMT2AMEN1
SCHEMBL11813493 0.71 NPC1 (0.75) RAB9ANPC1ELANERXFP1KDM4E

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
WO-2023159155-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) AND USES THEREOF PIVALENT THERAPEUTICS, INC. (US) 2023-08-24 — — WO disclosed
WO-2023159155-A1 INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) AND USES THEREOF PIVALENT THERAPEUTICS, INC. (US) 2023-08-24 — — WO disclosed
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