SCHEMBL30933685

SCHEMBL30933685

CCOc1ccc(Cl)cc1CNCCCCCN

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.63
CYP2D6 P10635 2/20 0.63
ATM Q13315 1/20 0.60
LMNA P02545 3/20 0.54
TP53 P04637 2/20 0.54
ALDH1A1 P00352 2/20 0.49
CHRM2 P08172 1/20 0.48
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 2/20 0.46
SLC2A1 P11166 2/20 0.44
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CCR5 P51681 1/20 0.41

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
SCHEMBL30933726 0.92 CYP1A2 (0.69) CYP1A2CYP2D6ATMLMNATP53
Hydrochloric Acid SCHEMBL30933695 0.91 CYP1A2 (0.71) CYP1A2CYP2D6ATMLMNATP53
SCHEMBL30933711 0.83 CYP1A2 (0.62) CYP1A2CYP2D6ATMLMNATP53
Hydrochloric Acid SCHEMBL30933707 0.82 CYP1A2 (0.64) CYP1A2CYP2D6ATMLMNATP53
SCHEMBL30933809 0.78 CYP1A2 (0.56) CYP1A2CYP2D6ATMLMNATP53
SCHEMBL30933833 0.76 CYP1A2 (0.59) CYP1A2CYP2D6ATMLMNATP53
SCHEMBL26921913 0.75 ATM (0.51) CYP1A2CYP2D6ATMKMT2AMEN1
Hydrochloric Acid SCHEMBL30933730 0.75 CYP1A2 (0.61) CYP1A2CYP2D6ATMLMNATP53
SCHEMBL30933717 0.73 CYP2D6 (0.59) CYP1A2CYP2D6ATMLMNATP53
Hydrochloric Acid SCHEMBL30933668 0.73 CYP2D6 (0.61) CYP1A2CYP2D6ATMLMNATP53

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