SCHEMBL30168147

SCHEMBL30168147

Cc1cc([N+](=O)[O-])ccc1SC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
GPR119 Q8TDV5 8/20 0.44
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
STS P08842 1/20 0.40

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
SCHEMBL30168195 0.85 CYP1A2 (0.44) MAPTALDH1A1LMNAGPR119KMT2A
SCHEMBL1865727 0.84 ALDH1A1 (0.62) MAPTALDH1A1LMNAGPR119PTPN2
SCHEMBL4465377 0.81 ALDH1A1 (0.54) MAPTALDH1A1LMNAGPR119
SCHEMBL31202940 0.81 FAAH (0.45) MAPTALDH1A1LMNA
SCHEMBL31203212 0.81 LMNA (0.53) MAPTALDH1A1LMNAGPR119KDM4E
SCHEMBL31203062 0.81 ALDH1A1 (0.60) MAPTALDH1A1LMNAKMT2A
SCHEMBL21752546 0.80 GPR119 (0.54) ALDH1A1GPR119KDM4EPTPN2PTPN1
SCHEMBL5970392 0.79 MAPT (0.53) MAPTALDH1A1LMNAGPR119KDM4E
SCHEMBL1810972 0.79 ALDH1A1 (0.70) MAPTALDH1A1LMNATHRBKMT2A
SCHEMBL29803658 0.79 ALDH1A1 (0.70) MAPTALDH1A1LMNATHRBKMT2A

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-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed