SCHEMBL29532124

SCHEMBL29532124

COc1ccc(Cc2cc(N)c3ccccc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.53
HSP90AB1 P08238 1/20 0.53
APP P05067 2/20 0.52
LTA4H P09960 1/20 0.50
LMNA P02545 3/20 0.48
ADORA2A P29274 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
ALDH1A1 P00352 3/20 0.46
ACP1 P24666 3/20 0.46
CYP2D6 P10635 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL28593997 0.86 LMNA (0.61) NCF1HSP90AB1APPLTA4HLMNA
SCHEMBL28203119 0.85 NCF1 (0.53) NCF1APPLMNAADORA2AL3MBTL1
SCHEMBL28521021 0.81 ITGB1 (0.46) LTA4HLMNACYP1A2CYP2D6MAPT
SCHEMBL28513286 0.81 ITGB1 (0.46) LTA4HLMNACYP1A2CYP2D6MAPT
SCHEMBL27697519 0.81 KMT2A (0.53) NCF1LMNAALDH1A1ATMKDM4E
SCHEMBL28510041 0.80 NCF1 (0.47) NCF1ADORA2ACYP1A2ALDH1A1KDM4E
SCHEMBL29532060 0.79 APP (0.50) NCF1HSP90AB1APPLTA4HADORA2A
SCHEMBL509565 0.79 APP (0.50) NCF1HSP90AB1APPLTA4HADORA2A
SCHEMBL21847406 0.77 HSP90AB1 (0.55) NCF1HSP90AB1APPLTA4HLMNA
SCHEMBL30842220 0.77 HSP90AB1 (0.55) NCF1HSP90AB1APPLTA4HLMNA

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-4228624-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 Therapeutics, Inc. (US) 2023-08-23 EP disclosed
WO-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed