SCHEMBL27551069

SCHEMBL27551069

O=C(O)c1ccc(CC[N+](=O)[O-])cc1N(Cc1ccccc1)C(=O)COCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
TSPO P30536 1/20 0.35
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDK1 Q15118 1/20 0.34
TSHR P16473 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL27491012 0.97 PDK1 (0.37) KDM4EALDH1A1LMNATSPOCTSV
SCHEMBL27476015 0.88 LTB4R (0.37) ALDH1A1LMNACTSVCTSLL3MBTL1
SCHEMBL27472802 0.87 PPARA (0.41) ALDH1A1LTB4R2NPC1RAB9A
SCHEMBL27474983 0.83 PDK1 (0.39) KDM4EALDH1A1TSPOL3MBTL1PDK1
SCHEMBL27489939 0.81 KMT2A (0.33) ALDH1A1TSHRLTB4R2
SCHEMBL27473239 0.79 PPARA (0.37) KDM4EALDH1A1
SCHEMBL27491346 0.78 PPARA (0.40) ALDH1A1LTB4R2
SCHEMBL27476016 0.75 PPARA (0.43)
SCHEMBL6579645 0.75 AR (0.48) ALDH1A1LMNAL3MBTL1SMN1; SMN2RAB9A
SCHEMBL6579278 0.74 SMN1; SMN2 (0.46) ALDH1A1LMNAL3MBTL1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1161337-C Chinolinelone derivative, its prepn. method and antiabnormal reaction agent ���ձ���ī��ѧ��ҵ��ʽ���� 2004-08-11 CN disclosed
CN-1221738-A Chinolinelone derivative, its prepn. method and antiabnormal reaction agent DAINIPPON INK & CHEMICALS (JP) 1999-07-07 CN disclosed