SCHEMBL7272453

SCHEMBL7272453

COC(=O)C1=C(C)Nc2c(c(C(C)(C)C)nn2C)C1c1cccc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
GLA P06280 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 2/20 0.41
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
BAP1 Q92560 1/20 0.40
MAPT P10636 4/20 0.40
NR1I2 O75469 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 4/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 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
SCHEMBL7272107 0.88 GAA (0.48) GAAALDH1A1KDM4EGLAMEN1
SCHEMBL7282120 0.85 ALDH1A1 (0.50) GAAALDH1A1KDM4EGLAMEN1
SCHEMBL7271467 0.84 KDM4E (0.41) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL7278442 0.83 ALDH1A1 (0.48) GAAALDH1A1KDM4EGLAMEN1
SCHEMBL7282256 0.80 ADORA3 (0.62) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL7280478 0.77 CACNA1F (0.55) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL7282476 0.75 NR3C2 (0.62) MEN1KMT2AMAPTNR1I2LMNA
SCHEMBL7278440 0.75 ALDH1A1 (0.42) GAAALDH1A1KDM4EGLAMEN1
SCHEMBL10367692 0.74 NR1I2 (0.56) GAAALDH1A1KDM4EGLAMEN1
SCHEMBL7272890 0.73 LMNA (0.51) GAAALDH1A1KDM4EMEN1KMT2A

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