SCHEMBL5793537

SCHEMBL5793537

Cc1nc(N(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c(NNC(=O)O)c1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
LMNA P02545 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
P2RX7 Q99572 1/20 0.38
RAB9A P51151 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL5793540 1.00 KMT2A (0.40) KMT2ALMNASMN1; SMN2TP53CYP3A4
SCHEMBL4301033 0.88 KMT2A (0.45) KMT2ALMNASMN1; SMN2CYP3A4ALDH1A1
SCHEMBL14340741 0.82 LMNA (0.41) LMNASMN1; SMN2TP53ALDH1A1MAPT
SCHEMBL4307213 0.78 GAA (0.43) KMT2ALMNASMN1; SMN2ALDH1A1P2RX7
SCHEMBL1141120 0.78 LMNA (0.37) KMT2ALMNASMN1; SMN2TP53CYP3A4
SCHEMBL6096675 0.76 BRD4 (0.41) KMT2ACYP3A4MAPT
SCHEMBL12201463 0.73 SYK (0.38) LMNASMN1; SMN2MAPTMAPK1TDP1
SCHEMBL8127865 0.72 LMNA (0.39) LMNASMN1; SMN2TP53ALDH1A1MAPT
SCHEMBL5818571 0.72 LMNA (0.36) KMT2ALMNASMN1; SMN2CYP3A4ALDH1A1
SCHEMBL2572685 0.72 SMN1; SMN2 (0.43) KMT2ALMNASMN1; SMN2TP53CYP3A4

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
WO-2006026760-A2 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-09 WO disclosed