SCHEMBL28967640

SCHEMBL28967640

Cc1ccnc2c([N+](=O)[O-])c[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
PDE10A Q9Y233 1/20 0.39
MAPT P10636 7/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
CTSB P07858 2/20 0.39
GAA P10253 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK1 P49759 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
RAB9A P51151 2/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37

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
SCHEMBL30166973 1.00 MEN1 (0.45) MEN1KMT2ASMN1; SMN2PDE10AMAPT
SCHEMBL13903471 0.82 ALDH1A1 (0.54) MEN1KMT2ASMN1; SMN2PDE10AMAPT
SCHEMBL13903459 0.80 MEN1 (0.47) MEN1KMT2APDE10AMAPTALDH1A1
SCHEMBL9942573 0.75 CCR1 (0.46) L3MBTL1LMNACCR1CCR5CCR8
SCHEMBL25212351 0.72 KDM4E (0.38) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL30934584 0.72 KDM4E (0.38) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL544726 0.70 MAPK1 (0.47) MEN1KMT2ASMN1; SMN2PDE10AMAPT
SCHEMBL1984578 0.70 CCR1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL13132297 0.70 TRIM24 (0.51) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3169007 0.70 PDE10A (0.53) MEN1KMT2ASMN1; SMN2PDE10AMAPT

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-115768761-A Novel benzimidazole derivatives 卡尔那生物科学株式会社 2023-03-07 CN disclosed