SCHEMBL8628490

SCHEMBL8628490

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

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6826039 0.86 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8633261 0.85 MAPT (0.47) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8628964 0.81 KMT2A (0.50) SMN1; SMN2ALDH1A1KDM4EMEN1HTT
SCHEMBL8627855 0.78 HPD (0.45) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL8746685 0.78 MAPT (0.62) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10870559 0.78 MAPT (0.71) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3885683 0.77 CFTR (0.54) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL5329375 0.76 ALDH1A1 (0.50) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5323321 0.76 ALDH1A1 (0.50) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5004832 0.76 ALDH1A1 (0.69) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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 5 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
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