SCHEMBL29760183

SCHEMBL29760183

Cc1nc(N)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 5/20 0.44
CYP3A4 P08684 3/20 0.44
RECQL P46063 1/20 0.44
GAA P10253 1/20 0.42
TDP1 Q9NUW8 5/20 0.42
POLB P06746 4/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GPR35 Q9HC97 1/20 0.39
GALR2 O43603 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7006546 1.00 TSHR (0.48) TSHRALDH1A1CYP3A4RECQLGAA
SCHEMBL28825412 0.86 ALDH1A1 (0.47) TSHRALDH1A1CYP3A4RECQLGAA
SCHEMBL31597058 0.86 ALDH1A1 (0.47) TSHRALDH1A1CYP3A4RECQLGAA
SCHEMBL25337052 0.86 ALDH1A1 (0.47) TSHRALDH1A1CYP3A4RECQLGAA
SCHEMBL27831883 0.85 TSHR (0.47) TSHRALDH1A1CYP3A4RECQLGAA
SCHEMBL597893 0.85 TDP1 (0.50) TSHRALDH1A1CYP3A4RECQLGAA
SCHEMBL1564582 0.83 ALDH1A1 (0.44) TSHRALDH1A1CYP3A4RECQLGAA
SCHEMBL19204031 0.83 ALDH1A1 (0.41) TSHRALDH1A1CYP3A4RECQLGAA
SCHEMBL8483314 0.83 ALDH1A1 (0.42) TSHRALDH1A1CYP3A4RECQLGAA
Ammonia Solution, Strong SCHEMBL25335787 0.83 ALDH1A1 (0.44) TSHRALDH1A1CYP3A4RECQLGAA

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-4267585-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS Actelion Pharmaceuticals Ltd (CH) 2023-11-01 EP disclosed
CN-116802184-A Pyrazolothiazole carboxamides and their use as PDGFR inhibitors 埃科特莱茵药品有限公司 2023-09-22 CN disclosed
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 WO disclosed