SCHEMBL4604502

SCHEMBL4604502

CCCOc1c(Cl)cc(Cl)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
DHODH Q02127 1/20 0.44
PLAU P00749 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ACLY P53396 3/20 0.42
AHR P35869 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
HPGD P15428 3/20 0.40
HSD17B10 Q99714 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 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
SCHEMBL13261204 0.80 MAPT (0.49) KDM4EPLAUTDP1AHRALDH1A1
SCHEMBL11574148 0.80 KDM4E (0.68) KDM4EAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL566358 0.78 PLAU (0.70) PLAUTDP1ALDH1A1SMN1; SMN2HPGD
SCHEMBL423692 0.78 ACLY (0.56) KDM4EAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL30084374 0.78 ACLY (0.56) KDM4EAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL28329497 0.77 KMT2A (0.49) KDM4EALDH1A1SMN1; SMN2TP53TSHR
SCHEMBL27826289 0.77 PLAU (0.41) KDM4EDHODHPLAUTDP1ALDH1A1
SCHEMBL15391451 0.76 KDM4E (0.48) KDM4EAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL10722355 0.76 AKR1C4 (0.50) KDM4EAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL27747426 0.76 KMT2A (0.44) KDM4EDHODHALDH1A1SMN1; SMN2TP53

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-1940796-A1 ISOQUINOLINES DERIVATIVES AS IGF-1R INHIBITORS Analytecon S.A. (CH) 2008-07-09 EP disclosed
WO-2007029107-A1 ISOQUINOLINES DERIVATIVES AS IGF-1R INHIBITORS ANALYTECON SA (CH) 2007-03-15 WO disclosed