SCHEMBL8569955

SCHEMBL8569955

O=[N+]([O-])c1cc(S)c2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 8/20 0.42
MAPT P10636 8/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.40
GUSB P08236 3/20 0.40
ELANE P08246 1/20 0.40
OPRK1 P41145 1/20 0.39
TNKS O95271 1/20 0.39

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
SCHEMBL3298254 0.81 KMT2A (0.54) KMT2AALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL3956436 0.79 NCF1 (0.51) KMT2AALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL8566513 0.79 CASP6 (0.44) KMT2AALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL3272390 0.79 MAPT (0.58) KMT2AALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL8567371 0.79 BACE1 (0.55) KMT2AALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL27504823 0.77 KMT2A (0.40) KMT2AALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL8570733 0.77 ALDH1A1 (0.46) KMT2AALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL8563618 0.77 ALDH1A1 (0.59) KMT2AALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL8562778 0.76 RIPK1 (0.47) KMT2AALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL8567206 0.76 HTT (0.45) KMT2AALDH1A1SMN1; SMN2KDM4EGLA

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