SCHEMBL9288586

SCHEMBL9288586

CN1CCN(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.57
HSD17B10 Q99714 3/20 0.57
MAPT P10636 2/20 0.57
GAA P10253 1/20 0.57
CYP2C19 P33261 1/20 0.57
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 2/20 0.51
ALOX12 P18054 1/20 0.51
KDM4E B2RXH2 2/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51
PTPN7 P35236 1/20 0.51
HAT1 O14929 5/20 0.49
EP300 Q09472 5/20 0.49
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47

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
SCHEMBL9666677 0.88 HPGD (0.54) HPGDHSD17B10MAPTGAACYP2C19
SCHEMBL8802912 0.88 HPGD (0.54) HPGDHSD17B10MAPTGAACYP2C19
SCHEMBL9051473 0.86 HPGD (0.52) HPGDHSD17B10MAPTGAAMEN1
SCHEMBL9443458 0.86 HPGD (0.52) HPGDHSD17B10MAPTGAACYP2C19
SCHEMBL11714826 0.84 GABRA1 (0.54) HPGDHSD17B10MAPTCYP2C19MEN1
SCHEMBL10756907 0.82 HPGD (0.46) HPGDHSD17B10MAPTGAACYP2C19
SCHEMBL29728320 0.81 HPGD (0.52) HPGDHSD17B10MAPTMEN1KMT2A
SCHEMBL27541984 0.80 HPGD (0.47) HPGDHSD17B10MAPTGAACYP2C19
SCHEMBL15557018 0.80 HPGD (0.46) HPGDHSD17B10MAPTGAACYP2C19
SCHEMBL10616315 0.80 MEN1 (0.51) HPGDHSD17B10MAPTMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680482-A1 PROCESS FOR THE MANUFACTURE OF A TRICYCLIC COMPOUND. PFIZER (US) 1995-11-08 EP disclosed