SCHEMBL7338618

SCHEMBL7338618

CNc1ccc(Nc2ccc(NC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 5/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
ALOX15 P16050 3/20 0.50
ALOX12 P18054 3/20 0.50
MAPK1 P28482 2/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
PTGS2 P35354 1/20 0.50
HTR2B P41595 1/20 0.50
APP P05067 4/20 0.48
RECQL P46063 4/20 0.48
MAPT P10636 4/20 0.48
THRB P10828 3/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL153943 0.89 TSHR (0.67) TSHRALDH1A1HSD17B10ALOX15APP
SCHEMBL2620355 0.88 HPGD (0.64) TSHRALDH1A1HSD17B10L3MBTL1TDP1
SCHEMBL17283461 0.88 TSHR (0.78) TSHRALDH1A1HSD17B10L3MBTL1TDP1
SCHEMBL471119 0.88 HPGD (0.64) TSHRALDH1A1HSD17B10L3MBTL1TDP1
SCHEMBL784987 0.88 TSHR (0.78) TSHRALDH1A1HSD17B10L3MBTL1TDP1
SCHEMBL13644735 0.88 TSHR (0.78) TSHRALDH1A1HSD17B10L3MBTL1TDP1
SCHEMBL8738210 0.88 HPGD (0.64) TSHRALDH1A1HSD17B10L3MBTL1TDP1
SCHEMBL22427634 0.86 MAPT (0.61) TSHRALDH1A1HSD17B10L3MBTL1TDP1
SCHEMBL8942483 0.86 MAPT (0.61) TSHRALDH1A1HSD17B10L3MBTL1TDP1
SCHEMBL10105569 0.86 ALDH1A1 (0.67) TSHRALDH1A1HSD17B10L3MBTL1TDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118930445-A Compound for photocatalytic reduction of carbon dioxide as well as preparation method and application thereof 大湾区大学(筹) 2024-11-12 CN claimed
CN-118930445-A Compound for photocatalytic reduction of carbon dioxide as well as preparation method and application thereof 大湾区大学(筹) 2024-11-12 CN disclosed
EP-2488486-B1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARM INC (US) 2019-08-14 EP disclosed
US-20070176629-A1 Molecular electronic device having organic conducting electrode as protective layer ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE 2007-08-02 US disclosed
EP-0585500-A1 Diaryl piperazineacetamides as antimuscarinic agents MERRELL DOW PHARMACEUTICALS INC. (US) 1994-03-09 EP disclosed