SCHEMBL8601694

SCHEMBL8601694

CCCCCSc1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 2/20 0.40
HTT P42858 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HASPIN Q8TF76 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 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
SCHEMBL10332242 0.85 POLB (0.44) ALDH1A1MAPTCYP1A2POLBHTT
SCHEMBL8599650 0.78 CYP1A2 (0.51) ALDH1A1MAPTLMNAGAACYP1A2
SCHEMBL8565327 0.78 MEN1 (0.52) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL8596247 0.78 MAPT (0.44) ALDH1A1MAPTLMNAGAACYP1A2
SCHEMBL8599760 0.77 POLB (0.41) ALDH1A1MAPTLMNAGAACYP1A2
SCHEMBL8598392 0.76 POLB (0.43) ALDH1A1MAPTLMNAGAACYP1A2
SCHEMBL8597355 0.76 TLR8 (0.44) ALDH1A1MAPTLMNAGAACYP1A2
SCHEMBL8596001 0.75 SMN1; SMN2 (0.49) ALDH1A1MAPTLMNAGAAHTT
SCHEMBL8598414 0.75 MAPT (0.47) ALDH1A1MAPTLMNAGAACYP1A2
SCHEMBL8599819 0.74 PLA2G2A (0.44) ALDH1A1MAPTLMNAGAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed