SCHEMBL25693846

SCHEMBL25693846

NCC#Cc1ccc(N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.62
CYP1A2 P05177 3/20 0.62
CYP3A4 P08684 3/20 0.62
CYP2C9 P11712 3/20 0.62
THPO P40225 1/20 0.62
APP P05067 6/20 0.62
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
MAPT P10636 2/20 0.52
CYP2E1 P05181 3/20 0.47
CYP2A6 P11509 3/20 0.47
CYP2B6 P20813 3/20 0.47
CYP2D6 P10635 2/20 0.45
CYP2C8 P10632 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36

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
Hydrochloric Acid SCHEMBL25239520 0.98 BLM (0.64) CYP2C19CYP1A2CYP3A4CYP2C9THPO
SCHEMBL6449000 0.89 CYP2C19 (0.75) CYP2C19CYP1A2CYP3A4CYP2C9THPO
SCHEMBL12568364 0.80 CYP2C19 (0.50) CYP2C19CYP1A2CYP3A4CYP2C9THPO
SCHEMBL7038938 0.78 CYP2C19 (0.60) CYP2C19CYP1A2CYP3A4CYP2C9THPO
SCHEMBL22122003 0.78 CYP2C19 (0.60) CYP2C19CYP1A2CYP3A4CYP2C9THPO
SCHEMBL3451115 0.78 CYP2C19 (0.60) CYP2C19CYP1A2CYP3A4CYP2C9THPO
SCHEMBL2080824 0.78 CYP2C19 (0.60) CYP2C19CYP1A2CYP3A4CYP2C9THPO
SCHEMBL7573145 0.78 CYP2C19 (0.60) CYP2C19CYP1A2CYP3A4CYP2C9THPO
SCHEMBL11459291 0.78 APP (0.59) CYP2C19CYP1A2CYP3A4CYP2C9THPO
SCHEMBL12523558 0.78 CYP2C19 (0.60) CYP2C19CYP1A2CYP3A4CYP2C9THPO

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-2023113457-A1 NOVEL COMPOUND FOR DEGRADING TARGET PROTEIN OR POLYPEPTIDE BY USING POLYUBIQUITINATION (주)프레이저테라퓨틱스 2023-06-22 WO disclosed
WO-2023113456-A1 NOVEL COMPOUND FOR DEGRADING TARGET PROTEIN OR POLYPEPTIDE BY USING POLYUBIQUITINATION (주)프레이저테라퓨틱스 2023-06-22 WO disclosed