SCHEMBL7017903

SCHEMBL7017903

CC1=C(C(=O)O)C(c2ccccc2Cl)c2c[nH]nc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
ALOX15 P16050 2/20 0.39
ACHE P22303 3/20 0.39
PYGL P06737 4/20 0.38
PYGM P11217 4/20 0.38
LMNA P02545 1/20 0.38
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 0.38
CHRM1 P11229 2/20 0.38
DRD1 P21728 2/20 0.38
TBXA2R P21731 2/20 0.38

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
SCHEMBL6293653 0.88 KDM4E (0.51) ALDH1A1HPGDCASP1CASP7HSD17B10
SCHEMBL6296596 0.87 ALDH1A1 (0.41) ALDH1A1HPGDCASP1CASP7HSD17B10
SCHEMBL6292177 0.87 ALDH1A1 (0.39) ALDH1A1HPGDCASP1CASP7HSD17B10
SCHEMBL6296464 0.86 TSHR (0.56) ALDH1A1HPGDCASP1HSD17B10TSHR
SCHEMBL6296978 0.85 NR3C2 (0.45) ALDH1A1HPGDCASP1CASP7HSD17B10
SCHEMBL6292201 0.84 HTR1A (0.46) TSHRPOLBHTR1AADRA2ACHRM1
SCHEMBL7436392 0.84 PYGL (0.39) ALDH1A1HPGDCASP1CASP7HSD17B10
SCHEMBL7017155 0.82 KDM4E (0.39) ALDH1A1HPGDCASP1CASP7HSD17B10
SCHEMBL7441431 0.82 PYGL (0.39) ALDH1A1HPGDCASP1CASP7HSD17B10
SCHEMBL7025273 0.82 TBXA2R (0.41) ALDH1A1HPGDCASP1CASP7HSD17B10

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-1355909-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-10-29 EP disclosed
WO-2002062795-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 WO disclosed