SCHEMBL8946632

SCHEMBL8946632

O=C=Nc1c(N=C=O)c(N=C=O)c2c(c1N=C=O)-c1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
CYP3A4 P08684 3/20 0.37
TSHR P16473 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CDC25B P30305 1/20 0.32
KDM4E B2RXH2 2/20 0.31
PTPRC P08575 2/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 2/20 0.31
CES1 P23141 2/20 0.31
CES2 O00748 1/20 0.31
APAF1 O14727 1/20 0.31
TERT O14746 1/20 0.31
NPC1 O15118 1/20 0.31
PLIN1 O60240 1/20 0.31
TDP2 O95551 1/20 0.31
S1PR4 O95977 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL2511483 0.84 CYP3A4 (0.42) GABRA1GABRB2CYP3A4
SCHEMBL2727862 0.84 GABRA1 (0.40) GABRA1GABRB2CYP3A4MAPK1TDP1
SCHEMBL3862629 0.80 SMN1; SMN2 (0.38) GABRA1GABRB2CYP3A4MEN1KMT2A
SCHEMBL1201225 0.76 CYP3A4 (0.46) GABRA1GABRB2CYP3A4TSHRMEN1
SCHEMBL428210 0.76 CYP3A4 (0.38) GABRA1GABRB2CYP3A4TDP1ALDH1A1
SCHEMBL1170136 0.72 GABRA1 (0.48) GABRA1GABRB2CYP3A4TSHRKMT2A
SCHEMBL3257470 0.72 CYP3A4 (0.39) GABRA1GABRB2CYP3A4NPC1RAB9A
SCHEMBL6855581 0.71 CYP3A4 (0.52) GABRA1GABRB2CYP3A4TSHRMEN1
SCHEMBL10958805 0.70 DNMT1 (0.34) GABRA1GABRB2
SCHEMBL112824 0.70 CYP3A4 (0.56) GABRA1GABRB2CYP3A4TSHRMEN1

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-5565508-A USEFUL AS BINDERS IN ELECTRODEPOSITION COATING BATHS HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-15 US disclosed