SCHEMBL2593528

SCHEMBL2593528

CCC(C(=O)O)c1nc(SCc2ccccc2)c2ccccn12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 5/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADORA3 P0DMS8 3/20 0.35

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
SCHEMBL2591287 0.77 KDM4E (0.42) MAPTSMN1; SMN2ALDH1A1CYP2C9KDM4E
SCHEMBL2594821 0.75 HCRTR2 (0.50) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL7709349 0.74 GAA (0.43) PPARGMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL2586420 0.63 HCRTR2 (0.54) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7554160 0.62 CCR2 (0.57) PPARGMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL9517850 0.60 PPARG (0.45) PPARGPTGDR2MAPTSMN1; SMN2RAB9A
SCHEMBL17437846 0.60 HTR4 (0.56)
SCHEMBL7050743 0.59 POLB (0.51) PPARGSMN1; SMN2ALDH1A1CYP2C9L3MBTL1
SCHEMBL1715 0.59 LMNA (0.59) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL20769804 0.59 LMNA (0.59) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A

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-2011138266-A1 INDOLIZINE AND IMIDAZOPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed