SCHEMBL30574593

SCHEMBL30574593

c1ccc(Nc2cc(-c3ccccc3)cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ AR P10275 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ ALOX12 P18054 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ MAPK10 P53779 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ ALK Q9UM73 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
SCHEMBL19738501 1.00 HSD17B10 (0.41) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL24531260 0.98 HSD17B10 (0.40) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL30574576 0.98 HSD17B10 (0.40) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL19738514 0.95 ALDH1A1 (0.39) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL19738488 0.95 HSD17B10 (0.43) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL21234501 0.93 ALDH1A1 (0.48) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL21234541 0.91 ALDH1A1 (0.47) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL21234452 0.88 MEN1 (0.48) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL21663929 0.86 ALDH1A1 (0.48) HSD17B10ALDH1A1MAPTMEN1KMT2A
SCHEMBL23620649 0.86 ALDH1A1 (0.43) HSD17B10ALDH1A1MAPTMEN1KMT2A

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
CN-108218722-B Novel compound and organic light emitting device comprising the same 东进世美肯株式会社 2023-10-27 — — CN disclosed
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