SCHEMBL9872031

SCHEMBL9872031

CN(C)CC1CSc2[nH]c3ccccc3c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
SLC6A4 P31645 1/20 0.35
MPO P05164 5/20 0.34
HAVCR2 Q8TDQ0 1/20 0.34
XDH P47989 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTR6 P50406 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KRAS P01116 1/20 0.32

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
SCHEMBL7408263 0.75 KMT2A (0.43) METAP1KMT2AALDH1A1HTR6KDM4E
SCHEMBL9872549 0.74 CYP3A4 (0.51) KMT2AMEN1CYP3A4MAPTALDH1A1
Hydrochloric Acid SCHEMBL7433749 0.72 HTR6 (0.51) METAP1KMT2AALDH1A1HTR6KDM4E
Hydrochloric Acid SCHEMBL9872665 0.72 HTR2C (0.34) HTR2C
SCHEMBL11384705 0.71 HTR6 (0.39) KMT2AMEN1CYP3A4MAPTSLC6A4
SCHEMBL9871149 0.71 CYP3A4 (0.38) METAP1KMT2AMEN1CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL9872164 0.70 METAP1 (0.39) METAP1CYP3A4ALDH1A1HTR6CYP1A2
SCHEMBL7605648 0.68 METAP1 (0.56) METAP1MAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL10916080 0.67 METAP1 (0.57) METAP1MAPTALDH1A1HPGD
SCHEMBL10395714 0.66 MAPT (0.37) METAP1KMT2AMEN1CYP3A4MAPT

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
US-5030646-A Treatment of diseases resulting from disfunction of seretoninergic system ADIR ET COMPAGNIE (FR) 1991-07-09 US disclosed