SCHEMBL8700331

SCHEMBL8700331

N=C(N)NC(=O)c1cccc(-n2cnnn2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
TP53 P04637 1/20 0.61
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
EPHX2 P34913 1/20 0.57
TSHR P16473 1/20 0.57
USP2 O75604 2/20 0.54
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
THRB P10828 1/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
HSD17B10 Q99714 1/20 0.54
G6PD P11413 1/20 0.53
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52

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
Hydrochloric Acid SCHEMBL8706081 0.99 SMN1; SMN2 (0.66) SMN1; SMN2TP53KMT2AMEN1EPHX2
SCHEMBL4583569 0.82 TP53 (0.70) SMN1; SMN2TP53KMT2AMEN1EPHX2
SCHEMBL8703800 0.80 KAT6A (0.56) SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL8700513 0.79 KAT6A (0.55) SMN1; SMN2LMNA
SCHEMBL16355148 0.78 KMT2A (0.79) SMN1; SMN2TP53KMT2AMEN1EPHX2
SCHEMBL939911 0.78 SMN1; SMN2 (0.71) SMN1; SMN2TP53KMT2AMEN1EPHX2
SCHEMBL31175292 0.78 SMN1; SMN2 (0.71) SMN1; SMN2TP53KMT2AMEN1EPHX2
SCHEMBL19464486 0.78 SMN1; SMN2 (0.59) SMN1; SMN2TP53KMT2AMEN1EPHX2
SCHEMBL8705516 0.77 AOC2 (0.68) SMN1; SMN2KMT2AMEN1NPC1ALDH1A1
SCHEMBL334915 0.77 TP53 (0.71) SMN1; SMN2TP53KMT2AMEN1EPHX2

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-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed