SCHEMBL7278639

SCHEMBL7278639

CCOC(=O)C1=C(C)Nc2c(c(C)nn2C)C1c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
POLB P06746 1/20 0.52
PTAFR P25105 1/20 0.51
CYP2C9 P11712 4/20 0.51
CYP3A4 P08684 4/20 0.51
KDM4E B2RXH2 4/20 0.51
TBXA2R P21731 3/20 0.51
ADRA1A P35348 3/20 0.51
SLC6A3 Q01959 3/20 0.51
CYP2C19 P33261 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 3/20 0.51
CACNA1C Q13936 3/20 0.51
MEN1 O00255 2/20 0.51
CYP1A2 P05177 2/20 0.51
KMT2A Q03164 2/20 0.51
HIF1A Q16665 2/20 0.51
LMNA P02545 2/20 0.51
ABCB11 O95342 2/20 0.51
ABCB1 P08183 2/20 0.51

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
SCHEMBL7282275 0.89 CA1 (0.49) TSHRCYP2C9CYP3A4KDM4ETBXA2R
SCHEMBL4261000 0.86 MAPT (0.56) TSHRCYP2C9CYP3A4KDM4ETBXA2R
SCHEMBL10575549 0.86 TSHR (0.48) TSHRPOLBPTAFRCYP2C9CYP3A4
SCHEMBL7282356 0.85 LMNA (0.54) TSHRPTAFRCYP2C9CYP3A4KDM4E
SCHEMBL7281990 0.85 ADORA3 (0.58) TSHRCYP2C9CYP3A4KDM4ECYP2C19
SCHEMBL7282331 0.84 ACHE (0.56) TSHRCYP2C9CYP3A4KDM4EADRA1A
SCHEMBL7272658 0.82 ALDH1A1 (0.48) TSHRPTAFRCYP2C9CYP3A4KDM4E
SCHEMBL3017208 0.81 CYP2C9 (0.73) TSHRPOLBPTAFRCYP2C9CYP3A4
SCHEMBL7272340 0.79 LMNA (0.45) TSHRCYP3A4ALDH1A1HSD17B10CACNA1C
SCHEMBL7273090 0.78 ACHE (0.54) TSHRPOLBCYP2C9CYP3A4KDM4E

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-0114273-B1 NEW PHARMACOLOGICALLY ACTIVE PYRAZOLOPYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1991-11-06 EP disclosed
US-4954508-A HYPOTENSIVE GRUPPO LEPETIT S.P.A. (IT) 1990-09-04 US disclosed