SCHEMBL8639463

SCHEMBL8639463

O=C(Cc1ccccc1-c1ccccc1)Nc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 2/20 0.63
KMT2A Q03164 5/20 0.60
MEN1 O00255 3/20 0.60
EPHX2 P34913 1/20 0.58
RAB9A P51151 2/20 0.57
LMNA P02545 2/20 0.57
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
ENPP2 Q13822 1/20 0.48
MAPT P10636 2/20 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
SCHEMBL11124688 0.84 L3MBTL1 (0.61) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL4304231 0.81 ALDH1A1 (0.59) CYP1A2CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL7939490 0.81 KMT2A (0.51) KMT2ARAB9ALMNACHRNB2CHRNB4
SCHEMBL5249556 0.81 KMT2A (0.51) KMT2ARAB9ALMNACHRNB2CHRNB4
SCHEMBL2397419 0.81 KMT2A (0.51) KMT2ARAB9ALMNACHRNB2CHRNB4
SCHEMBL6167046 0.81 RORC (0.49) CYP1A2CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL4433537 0.79 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL3437801 0.77 KMT2A (0.60) KMT2ARAB9ALMNAALDH1A1HTT
SCHEMBL538512 0.77 KMT2A (0.60) KMT2ARAB9ALMNAHTTENPP2
SCHEMBL17287789 0.77 LMNA (0.59) KMT2AMEN1RAB9ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8099941-A None JP disclosed
EP-0650955-B1 Amine compound and electro-luminescence device comprising same HODOGAYA CHEMICAL CO LTD (JP) 1998-08-19 EP disclosed
US-5707747-A CHARGE TRANSPORT COMPOUNDS HODOGAYA CHEMICAL CO., LTD. (JP) 1998-01-13 US disclosed
US-5639914-A DURABLE, STABLE, LOW VOLTAGE ELECTROLUMINESCENT EMITTERS HODOGAYA CHEMICAL CO., LTD. (JP) 1997-06-17 US disclosed
JP-H0899941-A AMINE COMPOUND HODOGAYA CHEM CO LTD 1996-04-16 JP disclosed
EP-0650955-A1 Amine compound and electro-luminescence device comprising same HODOGAYA CHEMICAL CO., LTD. (JP) 1995-05-03 EP disclosed