SCHEMBL16407280

SCHEMBL16407280

c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccn5)cc4)cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
DHODH Q02127 2/20 0.40
HPGD P15428 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
RAB9A P51151 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 3/20 0.39
PKM P14618 2/20 0.39
KLF5 Q13887 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 5/20 0.36
GLA P06280 1/20 0.36
METAP1 P53582 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL22766651 0.94 MAPK1 (0.40) HSD17B10TSHRMAPK1DHODHHPGD
SCHEMBL19168467 0.91 SMN1; SMN2 (0.41) HSD17B10TSHRMAPK1DHODHHPGD
SCHEMBL18697687 0.90 DHODH (0.41) HSD17B10TSHRMAPK1DHODHHPGD
SCHEMBL19166391 0.89 HSD17B10 (0.45) HSD17B10TSHRMAPK1DHODHHPGD
SCHEMBL19168247 0.89 HSD17B10 (0.45) HSD17B10TSHRMAPK1DHODHHPGD
SCHEMBL19167773 0.89 HSD17B10 (0.45) HSD17B10TSHRMAPK1DHODHHPGD
SCHEMBL9958139 0.89 ALDH1A1 (0.47) HSD17B10TSHRMAPK1DHODHHPGD
SCHEMBL21098948 0.89 TSHR (0.46) HSD17B10TSHRMAPK1DHODHHPGD
SCHEMBL18327642 0.89 L3MBTL1 (0.41) HSD17B10TSHRMAPK1HPGDSMN1; SMN2
SCHEMBL20195353 0.87 TSHR (0.48) HSD17B10TSHRMAPK1DHODHHPGD

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-2015008866-A1 TRIAZINE COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING SAME 東ソー株式会社 (JP) 2015-01-22 WO disclosed