SCHEMBL9024013

SCHEMBL9024013

Cc1nn(-c2ccccc2C(=O)O)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
MAPT P10636 3/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MYC P01106 2/20 0.43
PLK1 P53350 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL5736538 0.81 ELANE (0.43) MAPTCA9CA12HTTALDH1A1
SCHEMBL9023628 0.81 TSHR (0.59) TSHRMAPTCA9CA12L3MBTL1
SCHEMBL9023741 0.80 TSHR (0.72) TSHRMAPTCA9CA12HTT
SCHEMBL3709026 0.77 ELANE (0.49) MAPTL3MBTL1ALDH1A1LMNATDP1
SCHEMBL5738633 0.73 ELANE (0.40) MAPTNPC1RAB9ACA9L3MBTL1
SCHEMBL29369460 0.73 ALDH1A1 (0.53) TSHRMAPTNPC1RAB9ACA9
SCHEMBL1501466 0.73 TSHR (0.59) TSHRMAPTCA9CA12L3MBTL1
SCHEMBL5739266 0.72 LMNA (0.44) MAPTNPC1RAB9AL3MBTL1HTT
SCHEMBL3380500 0.71 L3MBTL1 (0.52) TSHRMAPTNPC1RAB9AL3MBTL1
SCHEMBL1501649 0.71 TSHR (0.59) TSHRMAPTCA9CA12L3MBTL1

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
EP-0347749-B1 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO KK (JP) 1996-04-24 EP disclosed
US-5079358-A Humans; leukemia KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-01-07 US disclosed