SCHEMBL5031672

SCHEMBL5031672

CC=C(c1ccncc1)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
CYP11B2 P19099 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MPO P05164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL28753656 0.85 MAPT (0.50) CYP19A1CYP11B2CYP3A4CYP2D6LMNA
SCHEMBL2785849 0.83 CYP19A1 (0.49) CYP19A1CYP11B2ALDH1A1CYP1A2CYP3A4
SCHEMBL28004787 0.76 CYP19A1 (0.45) CYP19A1CYP11B2NAPRTALDH1A1HTT
SCHEMBL7559763 0.76 NAPRT (0.44) CYP19A1CYP11B2NAPRTALDH1A1HTT
SCHEMBL7559764 0.76 NAPRT (0.44) CYP19A1CYP11B2NAPRTALDH1A1HTT
SCHEMBL14346009 0.76 NAPRT (0.44) CYP19A1CYP11B2NAPRTALDH1A1HTT
SCHEMBL13618861 0.74 NAPRT (0.42) NAPRTALDH1A1HTTMEN1KMT2A
SCHEMBL13141937 0.74 CYP19A1 (0.72) CYP19A1CYP11B2NAPRTALDH1A1MEN1
SCHEMBL6265077 0.72 CYP19A1 (0.42) CYP19A1CYP11B2NAPRTALDH1A1HTT
SCHEMBL27684753 0.72 HTT (0.57) NAPRTALDH1A1HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080274419-A1 Photoconductors XEROX CORPORATION 2008-11-06 US claimed