SCHEMBL29458797

SCHEMBL29458797

c1nc2cc(-c3cnco3)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
NOTUM Q6P988 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAP4K4 O95819 1/20 0.44
AAK1 Q2M2I8 8/20 0.43
PTK2 Q05397 1/20 0.43
KEAP1 Q14145 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
QPCT Q16769 1/20 0.40
QPCTL Q9NXS2 1/20 0.40
LTA4H P09960 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
SCHEMBL27116847 0.78 ABL1 (0.45)
SCHEMBL5775602 0.77 NPC1 (0.37) NOTUMGAALMNAPKMMEN1
SCHEMBL31143361 0.77 MAPT (0.50) CYP3A4QPCTQPCTL
SCHEMBL6008269 0.77 MAPT (0.50) CYP3A4QPCTQPCTL
SCHEMBL2461139 0.76 ALK (0.44) MEN1KMT2AKEAP1QPCTQPCTL
SCHEMBL23123086 0.73 QPCT (0.51) QPCTQPCTL
SCHEMBL2462703 0.73 NOTUM (0.43) NOTUMCYP2D6QPCTQPCTL
SCHEMBL2457410 0.73 PSMD11 (0.42) QPCTQPCTL
SCHEMBL16005249 0.72 DYRK1A (0.53) CYP11B1CYP11B2NOTUMGAALMNA
SCHEMBL991450 0.72 CYP11B1 (0.51) CYP11B1CYP11B2CYP3A4CYP2D6QPCT

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
EP-4225441-A1 NEW COMPOUNDS AND THEIR USE AS THERAPEUTICALLY ACTIVE SUBSTANCES IN THE TREATMENT AND/OR PREVENTION OF DISEASES INVOLVING THE RETINAL PIGMENT EPITHELIUM Endogena Therapeutics, Inc. (US) 2023-08-16 EP disclosed
WO-2022076417-A1 NEW COMPOUNDS AND THEIR USE AS THERAPEUTICALLY ACTIVE SUBSTANCES IN THE TREATMENT AND/OR PREVENTION OF DISEASES INVOLVING THE RETINAL PIGMENT EPITHELIUM ENDOGENA THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed