SCHEMBL7146754

SCHEMBL7146754

c1ccc(-c2cccc3[nH]c(-c4ccc(-c5nc6c(-c7ccccc7)cccc6[nH]5)cc4)nc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.62
PARP1 P09874 4/20 0.57
GAA P10253 6/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
PDE10A Q9Y233 1/20 0.52
MGAM O43451 4/20 0.51
SI P14410 4/20 0.51
MGAM2 Q2M2H8 4/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
GRIN2B Q13224 1/20 0.50
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CHEK2 O96017 1/20 0.48
CNR2 P34972 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
SCHEMBL31027957 0.98 DHODH (0.59) DHODHPARP1GAANPC1RAB9A
SCHEMBL5051916 0.94 MGAM (0.56) DHODHPARP1GAAMGAMSI
SCHEMBL1170898 0.93 DHODH (0.54) DHODHPARP1GAANPC1RAB9A
SCHEMBL8818948 0.92 DHODH (0.55) DHODHPARP1GAANPC1RAB9A
SCHEMBL8816603 0.92 GAA (0.64) DHODHPARP1GAANPC1RAB9A
SCHEMBL8818574 0.92 GAA (0.64) DHODHPARP1GAANPC1RAB9A
SCHEMBL8818775 0.92 GAA (0.64) DHODHPARP1GAANPC1RAB9A
SCHEMBL4457030 0.91 DHODH (0.53) DHODHPARP1GAANPC1RAB9A
SCHEMBL230979 0.91 DHODH (0.53) DHODHPARP1GAANPC1RAB9A
SCHEMBL8814866 0.88 KDM4E (0.61) DHODHPARP1GAANPC1RAB9A

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-6521360-B2 White and colored organic electroluminescent devices using single emitting material by novel color change technique CITY UNIVERSITY OF HONG KONG (HK) 2003-02-18 US disclosed
US-20020025419-A1 White and colored organic electroluminescent devices using single emitting material by novel color change technique CITY UNIVERSITY OF HONG KONG (HK) 2002-02-28 US disclosed