SCHEMBL24196882

SCHEMBL24196882

CCCN[S+]([O-])c1ccc(C2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.39
LMNA P02545 4/20 0.37
ALDH1A1 P00352 3/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
ATM Q13315 1/20 0.37
RORC P51449 1/20 0.36
HTT P42858 2/20 0.35
HRH3 Q9Y5N1 2/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
CYP2C9 P11712 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
APOBEC3A P31941 1/20 0.34

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
SCHEMBL24196889 0.85 KCNH2 (0.33) LMNAALDH1A1MAPTSMN1; SMN2HRH3
SCHEMBL24196888 0.78 ALDH1A1 (0.42) LMNAALDH1A1MAPTRORCHTT
SCHEMBL24196877 0.77 ALDH1A1 (0.43) LMNAALDH1A1MAPTRORCHTT
SCHEMBL24196020 0.74 PRMT6 (0.35) CARM1PRMT6
SCHEMBL24196886 0.73 MAPT (0.35) LMNAALDH1A1MAPTCYP2C9HPGD
SCHEMBL24196890 0.73 PTPN1 (0.37) ALDH1A1MAPTSMN1; SMN2HRH3CARM1
SCHEMBL11410136 0.73 LMNA (0.44) HAO1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL27315791 0.72 HRH3 (0.54) HAO1LMNAALDH1A1NOS3NOS1
SCHEMBL24196887 0.72 CA2 (0.34) LMNAALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL24196865 0.71 SIGMAR1 (0.36) LMNAMAPTTP53ATMHTT

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-2022008475-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2022-01-13 WO disclosed