SCHEMBL8892513

SCHEMBL8892513

COc1ccc2scc(CONC(C)=O)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.66
MTNR1B P49286 11/20 0.66
HTR2B P41595 2/20 0.40
HTR2C P28335 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
DYRK1A Q13627 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NQO2 P16083 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A1 P04798 1/20 0.39
MPO P05164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL8882996 0.88 MTNR1A (0.56) MTNR1AMTNR1BRAB9ANPC1KDM4E
SCHEMBL8884153 0.88 MTNR1A (0.57) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL8886559 0.85 MTNR1A (0.69) MTNR1AMTNR1BSMN1; SMN2KDM4E
SCHEMBL8883211 0.84 MTNR1A (0.54) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL8883208 0.82 MTNR1A (0.51) MTNR1AMTNR1BRAB9ANPC1SMN1; SMN2
SCHEMBL8888429 0.82 MTNR1A (0.51) MTNR1AMTNR1BHTR2CKDM4EHPGD
SCHEMBL8884003 0.82 MTNR1A (0.56) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL8884185 0.80 CYP2A6 (0.51) MTNR1ASMN1; SMN2
SCHEMBL7024784 0.80 MTNR1A (1.00) MTNR1AMTNR1BHTR2BHTR2CRAB9A
SCHEMBL8617176 0.79 MTNR1A (0.54) MTNR1AMTNR1BHTR2BRAB9ANPC1

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-5612368-A SKIN DISORDERS, MELATONINERGIC SYSTEMS, ANTIARRHYTHMIA AGENTS OR ANTIISCHEMIC AGENTS ADIR ET COMPAGNIE (FR) 1997-03-18 US disclosed