SCHEMBL30933775

SCHEMBL30933775

CCOc1ccc(Cl)cc1CNC1CNC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.46
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.41
CMA1 P23946 1/20 0.41
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
HTR2A P28223 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TACR1 P25103 1/20 0.40

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 SCHEMBL30933747 0.99 CYP1A2 (0.53) CYP1A2CYP2D6POLBATMNPBWR1
SCHEMBL30933781 0.90 CYP1A2 (0.47) CYP1A2CYP2D6POLBATMNPBWR1
Hydrochloric Acid SCHEMBL30933691 0.89 CYP1A2 (0.49) CYP1A2CYP2D6POLBATMNPBWR1
Hydrochloric Acid SCHEMBL30933835 0.87 NPBWR1 (0.50) CYP1A2CYP2D6POLBATMNPBWR1
SCHEMBL30933796 0.83 CYP1A2 (0.50) CYP1A2CYP2D6POLBATMNPBWR1
Hydrochloric Acid SCHEMBL30933738 0.82 CYP1A2 (0.52) CYP1A2CYP2D6POLBATMNPBWR1
SCHEMBL30933699 0.82 NPBWR1 (0.49) CYP1A2CYP2D6POLBATMNPBWR1
SCHEMBL30933688 0.81 POLB (0.50) CYP1A2CYP2D6POLBATMNPBWR1
SCHEMBL30933744 0.81 CYP1A2 (0.48) CYP1A2CYP2D6POLBATMNPBWR1
Hydrochloric Acid SCHEMBL30933669 0.81 CYP1A2 (0.51) CYP1A2CYP2D6POLBATMNPBWR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105007-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF Samsara Therapeutics Inc. (US) 2024-05-23 WO disclosed