SCHEMBL2373328

SCHEMBL2373328

O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1O.[Sr+2]

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ATP4AATP4B

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.47
GPR35 Q9HC97 2/20 0.46
TSHR P16473 2/20 0.45
CASP6 P55212 1/20 0.44
SELL P14151 1/20 0.42
SELP P16109 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
CDK2 P24941 3/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL15622 0.98 DTYMK (0.49) DTYMKGPR35TSHRCASP6SELL
Ammonia Solution, Strong SCHEMBL2373499 0.96 DTYMK (0.47) DTYMKGPR35TSHRCASP6SELL
Potassium Ion SCHEMBL2372982 0.96 DTYMK (0.47) DTYMKGPR35TSHRCASP6SELL
SCHEMBL2373299 0.96 DTYMK (0.47) DTYMKGPR35TSHRCASP6SELL
SCHEMBL15557230 0.96 DTYMK (0.47) DTYMKGPR35TSHRCASP6SELL
SCHEMBL1355971 0.85 GPR35 (0.50) DTYMKGPR35TSHRCASP6ALDH1A1
SCHEMBL304470 0.85 CASP6 (0.55) DTYMKGPR35TSHRCASP6ALDH1A1
SCHEMBL1981517 0.83 GPR35 (0.52) DTYMKGPR35TSHRCASP6SELL
SCHEMBL27501298 0.83 CASP6 (0.53) DTYMKGPR35TSHRCASP6ALDH1A1
SCHEMBL537538 0.80 DTYMK (0.49) DTYMKGPR35TSHRCASP6ALDH1A1

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
US-20130153098-A1 Gas Generant Compositions JOYSON SAFETY SYSTEMS ACQUISITION LLC 2013-06-20 US claimed
WO-2011119240-A1 GAS GENERANT COMPOSITIONS GANTA SUDHAKAR R (US) 2011-09-29 WO claimed
WO-2011119240-A1 GAS GENERANT COMPOSITIONS GANTA SUDHAKAR R (US) 2011-09-29 WO disclosed