SCHEMBL7793770

SCHEMBL7793770

Nc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N)cc4)cc3)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.86
CYP3A4 P08684 6/20 0.86
MAPT P10636 6/20 0.86
TDP1 Q9NUW8 5/20 0.86
L3MBTL1 Q9Y468 4/20 0.86
KDM4E B2RXH2 2/20 0.86
CYP1A2 P05177 2/20 0.86
CYP2C9 P11712 2/20 0.86
CYP2C19 P33261 2/20 0.86
CYP2D6 P10635 1/20 0.86
HSD17B10 Q99714 2/20 0.64
TAAR1 Q96RJ0 1/20 0.64
TP53 P04637 2/20 0.52
TSHR P16473 2/20 0.46
RAB9A P51151 3/20 0.45
ALOX15 P16050 2/20 0.45
NPC1 O15118 2/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7012980 1.00 ALDH1A1 (0.86) ALDH1A1CYP3A4MAPTTDP1L3MBTL1
SCHEMBL13915193 1.00 ALDH1A1 (0.86) ALDH1A1CYP3A4MAPTTDP1L3MBTL1
SCHEMBL14461271 1.00 ALDH1A1 (0.86) ALDH1A1CYP3A4MAPTTDP1L3MBTL1
SCHEMBL3478291 1.00 ALDH1A1 (0.86) ALDH1A1CYP3A4MAPTTDP1L3MBTL1
SCHEMBL69032 1.00 ALDH1A1 (0.86) ALDH1A1CYP3A4MAPTTDP1L3MBTL1
SCHEMBL12714629 1.00 ALDH1A1 (0.86) ALDH1A1CYP3A4MAPTTDP1L3MBTL1
SCHEMBL345618 1.00 ALDH1A1 (0.86) ALDH1A1CYP3A4MAPTTDP1L3MBTL1
SCHEMBL19139645 0.98 ALDH1A1 (0.82) ALDH1A1CYP3A4MAPTTDP1L3MBTL1
SCHEMBL13050027 0.98 ALDH1A1 (0.82) ALDH1A1CYP3A4MAPTTDP1L3MBTL1
SCHEMBL22328747 0.98 ALDH1A1 (0.82) ALDH1A1CYP3A4MAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805143-B1 ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC THIN FILM, AND TRIAMINE COMPOUNDS IDEMITSU KOSAN CO (JP) 2001-12-05 EP disclosed
US-6074734-A Organic electroluminescence device, organic thin film, and triamine compound IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0805143-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC THIN FILM, AND TRIAMINE COMPOUNDS IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-11-05 EP disclosed
US-5047590-A STARTING MATERIALS OR CHEMICAL INTERMEDIATES FOR PREPARING PHOTOCONDUCTIVE MATERIALS FOR ELECTROGRAPHY RICOH COMPANY, LTD. (JP) 1991-09-10 US disclosed