SCHEMBL30452749

SCHEMBL30452749

Cc1c(-c2cccnc2)cnc(C(=O)O)c1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.50
CYP11B2 P19099 7/20 0.50
CYP19A1 P11511 4/20 0.48
EPHX1 P07099 1/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.42
LRRK2 Q5S007 1/20 0.42
RAB9A P51151 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
GPR35 Q9HC97 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41

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
SCHEMBL24257743 1.00 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1EPHX1KMT2A
SCHEMBL30546817 0.88 CYP11B1 (0.52) CYP11B1CYP11B2CYP19A1EPHX1KMT2A
SCHEMBL29248901 0.88 CYP11B1 (0.52) CYP11B1CYP11B2CYP19A1EPHX1KMT2A
SCHEMBL24257759 0.87 KDM4E (0.42) LMNAKDM4EALDH1A1
SCHEMBL24257668 0.85 FFAR1 (0.43) LMNATDP1
SCHEMBL24257585 0.83 PTGER1 (0.47)
SCHEMBL30454075 0.83 PTGER1 (0.47)
SCHEMBL24257669 0.83 C5AR1 (0.43) TDP1
SCHEMBL30453291 0.83 C5AR1 (0.43) TDP1
SCHEMBL24257514 0.83 ALDH1A1 (0.48) CYP11B1CYP11B2CYP19A1EPHX1KMT2A

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-4196466-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2023-06-21 EP disclosed