SCHEMBL27714481

SCHEMBL27714481

Cc1ncc([N+](=O)[O-])n1CC(O)CBr

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.75
MAPK1 P28482 2/20 0.72
ATM Q13315 1/20 0.72
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
THRB P10828 1/20 0.58
TSHR P16473 1/20 0.58
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
GAA P10253 1/20 0.50
GLA P06280 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.47
CA12 O43570 2/20 0.47
POLB P06746 1/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46

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
SCHEMBL30174104 0.91 CHRM1 (0.83) CHRM1MAPK1ATMALDH1A1LMNA
SCHEMBL18267803 0.89 CHRM1 (0.71) CHRM1MAPK1ATMALDH1A1LMNA
SCHEMBL7713064 0.87 CHRM1 (0.77) CHRM1MAPK1ATMALDH1A1LMNA
SCHEMBL5369092 0.87 CHRM1 (0.77) CHRM1MAPK1ATMALDH1A1LMNA
SCHEMBL25121459 0.86 CHRM1 (0.75) CHRM1MAPK1ATMALDH1A1LMNA
Ornidazole SCHEMBL15158378 0.86 CHRM1 (1.00) CHRM1MAPK1ATMALDH1A1LMNA
Ornidazole SCHEMBL43039 0.86 CHRM1 (1.00) CHRM1MAPK1ATMALDH1A1LMNA
SCHEMBL16367304 0.86 CHRM1 (0.75) CHRM1MAPK1ATMALDH1A1LMNA
Ornidazole SCHEMBL15158379 0.86 CHRM1 (1.00) CHRM1MAPK1ATMALDH1A1LMNA
SCHEMBL16367305 0.86 CHRM1 (0.75) CHRM1MAPK1ATMALDH1A1LMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101274932-B 2-methyl-5- azomycin-1-(3-chloro-2-hydroxypropyl) chloro-substitutive derivate, preparation thereof and application thereof SICHUAN BAILI PHARMACEUTICAL CO LTD 2012-10-10 CN claimed
CN-101279970-B 2-methyl-5-azomycin-1-(3-chloro-2-hydroxypropyl) chloro-substitutied derivate, preparation and application thereof SICHUAN BAILI PHARMACEUTICAL CO LTD 2012-09-05 CN claimed
CN-101279970-A 2-methyl-5-azomycin-1-(3-chloro-2-hydroxypropyl) chloro-substitutied derivate, preparation and application thereof SICHUAN BAILI PHARMACEUTICAL C (CN) 2008-10-08 CN claimed
CN-101274932-A 2-methyl-5- azomycin-1-(3-chloro-2-hydroxypropyl) chloro-substitutive derivate, preparation thereof and application thereof SICHUAN BAILI PHARMACEUTICAL C (CN) 2008-10-01 CN claimed
CN-101274932-B 2-methyl-5- azomycin-1-(3-chloro-2-hydroxypropyl) chloro-substitutive derivate, preparation thereof and application thereof SICHUAN BAILI PHARMACEUTICAL CO LTD 2012-10-10 CN disclosed
CN-101279970-B 2-methyl-5-azomycin-1-(3-chloro-2-hydroxypropyl) chloro-substitutied derivate, preparation and application thereof SICHUAN BAILI PHARMACEUTICAL CO LTD 2012-09-05 CN disclosed
CN-101250185-B Pyrrone nidazole ester compound as well as preparation method and use thereof SICHUAN BAILI PHARMACEUTICAL CO LTD 2011-01-05 CN disclosed
CN-101279970-A 2-methyl-5-azomycin-1-(3-chloro-2-hydroxypropyl) chloro-substitutied derivate, preparation and application thereof SICHUAN BAILI PHARMACEUTICAL C (CN) 2008-10-08 CN disclosed
CN-101274932-A 2-methyl-5- azomycin-1-(3-chloro-2-hydroxypropyl) chloro-substitutive derivate, preparation thereof and application thereof SICHUAN BAILI PHARMACEUTICAL C (CN) 2008-10-01 CN disclosed
CN-101250185-A Pyrrone nidazole ester compound as well as preparation method and usage thereof SICHUAN BAILI PHARMACEUTICAL C (CN) 2008-08-27 CN disclosed