SCHEMBL2199147

SCHEMBL2199147

O=C(Cc1ccc(-c2cccs2)cc1)Nc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
MEN1 O00255 4/20 0.68
EPHX2 P34913 1/20 0.61
KDM4E B2RXH2 3/20 0.59
MAPT P10636 2/20 0.59
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
CCNA2 P20248 1/20 0.54
CDK2 P24941 1/20 0.54
CCNA1 P78396 1/20 0.54
POLB P06746 1/20 0.52
RORC P51449 1/20 0.50
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50

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
SCHEMBL3714852 0.81 KMT2A (1.00) KMT2AMEN1EPHX2NPC1RAB9A
SCHEMBL10054999 0.81 EPHX2 (0.92) KMT2AMEN1EPHX2MAPTNPC1
SCHEMBL1448028 0.81 EPHX2 (0.54) KMT2AMEN1EPHX2KDM4EMAPT
SCHEMBL6516216 0.80 LTA4H (0.59) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL14082867 0.78 PTPN1 (0.67) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL1516167 0.78 EPHX2 (1.00) KMT2AMEN1EPHX2MAPTNPC1
Hydrochloric Acid SCHEMBL27735879 0.76 EPHX2 (0.96) KMT2AMEN1EPHX2MAPTNPC1
SCHEMBL6651050 0.75 MEN1 (0.74) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL4420808 0.75 EPHX2 (0.79) KMT2AMEN1EPHX2MAPTNPC1
SCHEMBL31207138 0.75 SMN1; SMN2 (0.67) KMT2AMEN1KDM4EMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7976959-B2 Organic electroluminescent element including bibenzothiopene containing organic compound and display device including the same FUJI XEROX CO., LTD. (JP) 2011-07-12 US disclosed
US-20090243469-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND DISPLAY DEVICE INCLUDING THE SAME FUJI XEROX CO., LTD. (JP) 2009-10-01 US disclosed