SCHEMBL30306262

SCHEMBL30306262

CC(C)(C)c1nc2ccc([N+](=O)[O-])cc2n1C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.52
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
ELANE P08246 3/20 0.46
F2 P00734 2/20 0.46
PLAU P00749 2/20 0.46
KLKB1 P03952 1/20 0.46
CTRB1 P17538 1/20 0.46
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
AHR P35869 1/20 0.45
CASP6 P55212 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL30306286 0.82 CNR2 (0.57) CNR2ALDH1A1KMT2ALMNAMEN1
SCHEMBL30306310 0.81 CNR2 (0.56) CNR2ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL28654998 0.81 CNR2 (0.56) CNR2KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL30306291 0.81 CNR2 (0.56) CNR2KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL30306260 0.81 CNR2 (0.56) CNR2KMT2AELANEMEN1MAPT
SCHEMBL30306263 0.81 CNR2 (0.56) CNR2KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL30306275 0.81 CNR2 (0.56) CNR2KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL30306294 0.79 CNR2 (0.74) CNR2ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL30306271 0.74 CNR2 (0.57) CNR2ALDH1A1KMT2ALMNAMEN1
SCHEMBL30306282 0.73 CNR2 (0.73) CNR2KMT2ALMNAMEN1SMN1; SMN2

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
CN-113717107-B Synthesis method of N-acyl benzimidazole compound 河南师范大学 2023-03-24 CN disclosed