SCHEMBL8633261

SCHEMBL8633261

Cc1cc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 6/20 0.46
LMNA P02545 3/20 0.45
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 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
SCHEMBL27672384 0.85 MAPT (0.44) MAPTALDH1A1LMNAUSP2TSHR
SCHEMBL8628490 0.85 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8626375 0.82 USP2 (0.47) MAPTALDH1A1USP2TSHRKDM4E
SCHEMBL6826039 0.82 MAPT (0.56) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8626517 0.80 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10353207 0.79 MAPT (0.53) MAPTALDH1A1LMNAUSP2TSHR
SCHEMBL8626514 0.78 USP2 (0.41) MAPTALDH1A1LMNAUSP2TSHR
SCHEMBL10870559 0.74 MAPT (0.71) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8746685 0.74 MAPT (0.62) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5323321 0.72 ALDH1A1 (0.50) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1120157-C Substituted quinoline-2-carboxamides, process for their preparation and their use as pharmaceuticals, and intermediates thereof FIBER GENE CORP (US) 2003-09-03 CN disclosed
CN-1282737-A Intermediate product used for preparing substituted quinoline-2-formamide MOECHST AG (DE) 2001-02-07 CN disclosed
US-5726305-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-10 US disclosed
US-5719164-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
CN-1154365-A Substituted quinoline-2-carboxamides, process for their preparation and their use as pharmaceuticals, and intermediates thereof HOECHST AG (DE) 1997-07-16 CN disclosed
EP-0765871-A1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-02 EP disclosed