SCHEMBL9023741

SCHEMBL9023741

Cc1nn(-c2ccccc2C(=O)O)c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.72
ALDH1A1 P00352 4/20 0.55
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
MYC P01106 3/20 0.54
NR4A1 P22736 1/20 0.49
HTT P42858 2/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
PLK1 P53350 1/20 0.45
ELANE P08246 1/20 0.43
ALOX15 P16050 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FABP4 P15090 2/20 0.41
FABP3 P05413 1/20 0.40
FABP5 Q01469 1/20 0.40
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
SCHEMBL1501649 0.84 TSHR (0.59) TSHRALDH1A1CA12CA9MYC
SCHEMBL1501466 0.84 TSHR (0.59) TSHRALDH1A1CA12CA9MYC
SCHEMBL9023628 0.84 TSHR (0.59) TSHRALDH1A1CA12CA9MYC
SCHEMBL9024249 0.83 ALDH1A1 (0.57) TSHRALDH1A1CA12CA9MYC
SCHEMBL9024013 0.80 TSHR (0.54) TSHRALDH1A1CA12CA9MYC
SCHEMBL17782595 0.79 ELANE (0.59) TSHRELANEPOLB
SCHEMBL13202375 0.74 PLK1 (0.50) HPGDPLK1CYP11B1CYP11B2
SCHEMBL1514915 0.74 ELANE (0.60) TSHRHTTKDM4EELANE
SCHEMBL25372637 0.74 HTT (0.50) TSHRALDH1A1CA12CA9HTT
SCHEMBL31097642 0.74 HTT (0.50) TSHRALDH1A1CA12CA9HTT

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 3 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
EP-0347749-A2 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-12-27 EP disclosed