SCHEMBL16092207

SCHEMBL16092207

CSc1ccc(Nc2ccc(Nc3ccc(Nc4ccccc4)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
HSD17B10 Q99714 5/20 0.62
ALOX12 P18054 3/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
TSHR P16473 3/20 0.62
TDP1 Q9NUW8 3/20 0.62
ALOX15 P16050 2/20 0.62
PTGS1 P23219 1/20 0.62
SLC6A2 P23975 1/20 0.62
MAPK1 P28482 1/20 0.62
PTGS2 P35354 1/20 0.62
HTR2B P41595 1/20 0.62
KDM1A O60341 1/20 0.59
CYP3A4 P08684 5/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
HPGD P15428 2/20 0.56

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
SCHEMBL17870330 1.00 ALDH1A1 (0.62) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL23918534 0.90 KDM1A (0.52) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL9187556 0.80 MEN1 (0.61) ALDH1A1HSD17B10TSHRTDP1MAPK1
SCHEMBL13308528 0.80 ALDH1A1 (0.68) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL11328192 0.80 ALDH1A1 (0.68) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL11961732 0.80 ALDH1A1 (0.68) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL28458579 0.80 ALDH1A1 (0.66) ALDH1A1HSD17B10ALOX12L3MBTL1MAPK1
SCHEMBL9480038 0.79 ALDH1A1 (1.00) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL7896372 0.79 ALDH1A1 (1.00) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR
SCHEMBL13663470 0.79 ALDH1A1 (1.00) ALDH1A1HSD17B10ALOX12L3MBTL1TSHR

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
US-9290638-B2 Resin additive, polyphenylene sulfide resin composition, and electronic device DENSO CORPORATION (JP) 2016-03-22 US disclosed
US-20140262414-A1 RESIN ADDITIVE, POLYPHENYLENE SULFIDE RESIN COMPOSITION, AND ELECTRONIC DEVICE DENSO CORPORATION (JP) 2014-09-18 US disclosed