SCHEMBL5141111

SCHEMBL5141111

Cc1cc(C)c(CSc2ccccc2N)c(C)c1CSc1ccccc1N.Nc1cc(Cc2cc(N)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
PPARG P37231 1/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP3A4 P08684 1/20 0.32
TACR1 P25103 4/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL5141112 0.89 PPARG (0.36) POLBPPARGMAPTRAB9ASMN1; SMN2
SCHEMBL30932837 0.80 POLB (0.52) POLBSLC6A2SLC6A4SLC6A3MAPT
SCHEMBL866279 0.80 POLB (0.52) POLBSLC6A2SLC6A4SLC6A3MAPT
SCHEMBL11482869 0.71 POLB (0.59) POLBSLC6A2SLC6A4SLC6A3MAPT
SCHEMBL864911 0.71 IDO1 (0.47) PPARGMAPTALDH1A1TSHRMAPK1
SCHEMBL1656268 0.70 NSD2 (0.46) PPARGALDH1A1CYP3A4TSHRMAPK1
SCHEMBL3357437 0.65 PDE7A (0.58) POLBSLC6A4MAPTLMNASMN1; SMN2
SCHEMBL14784951 0.64 IDO1 (0.40) MAPTALDH1A1TACR1TSHRMAPK1
SCHEMBL550610 0.63 SKP2 (0.45) POLBPPARGMAPTRAB9AALDH1A1
SCHEMBL28904169 0.62 IDO1 (0.46) POLBPPARGALDH1A1CYP3A4TACR1

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
EP-1966119-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2008-09-10 EP disclosed
WO-2007071091-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2007-06-28 WO disclosed