SCHEMBL28465295

SCHEMBL28465295

O=CCCn1c([N+](=O)[O-])cnc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA9 Q16790 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 4/20 0.37
ATM Q13315 1/20 0.37
GLA P06280 1/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.35
CHRM1 P11229 1/20 0.35
EGFR P00533 2/20 0.33
ERBB2 P04626 2/20 0.33
KDR P35968 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL13004520 0.78 LMNA (0.68) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL28767606 0.73 SMN1; SMN2 (0.39) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL28767641 0.73 SMN1; SMN2 (0.39) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL28190391 0.73 SMN1; SMN2 (0.39) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL28767658 0.71 CHRM1 (0.66) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL28767614 0.71 CHRM1 (0.66) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL28767635 0.71 CHRM1 (0.66) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL3466681 0.65 LMNA (0.62) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL5258409 0.63 CA1 (0.64) LMNAMAPK1ALDH1A1THRBTSHR
SCHEMBL11773969 0.63 LMNA (0.63) LMNAMAPK1ALDH1A1THRBTSHR

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-111606900-A Anti-infective medicament and preparation method and application thereof 陕西合成药业股份有限公司 2020-09-01 CN disclosed