SCHEMBL28936364

SCHEMBL28936364

Cc1cc(C#N)ccc1C(=CN(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.41
LRRK2 Q5S007 1/20 0.38
CYP11B2 P19099 7/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
FFAR1 O14842 1/20 0.35
ESR1 P03372 1/20 0.35
GPR35 Q9HC97 1/20 0.35
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL23832239 1.00 CYP11B1 (0.41) CYP11B1LRRK2CYP11B2MRGPRX4FFAR1
SCHEMBL23832375 1.00 CYP11B1 (0.41) CYP11B1LRRK2CYP11B2MRGPRX4FFAR1
SCHEMBL23839956 0.85 CYP11B1 (0.41) CYP11B1LRRK2CYP11B2MRGPRX4
SCHEMBL23832273 0.84 CYP11B1 (0.47) CYP11B1CYP11B2MRGPRX4ESR1RAB9A
SCHEMBL23832237 0.83 CYP11B1 (0.39) CYP11B1CYP11B2GPR35
SCHEMBL30144843 0.83 CYP11B1 (0.46) CYP11B1CYP11B2MRGPRX4GPR35
SCHEMBL23839934 0.83 CYP11B1 (0.46) CYP11B1CYP11B2MRGPRX4GPR35
SCHEMBL23832202 0.82 CYP11B1 (0.43) CYP11B1LRRK2CYP11B2SLC22A12
SCHEMBL28253857 0.82 CYP11B1 (0.43) CYP11B1LRRK2CYP11B2SLC22A12
SCHEMBL23832227 0.81 CYP11B1 (0.43) CYP11B1CYP11B2MRGPRX4XDHSLC22A12

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
CN-115605467-A PHD inhibitor compounds, compositions and uses thereof 阿克比治疗有限公司(US) 2023-01-13 CN disclosed
CN-115551845-A PHD inhibitor compounds, compositions and uses 阿克比治疗有限公司 2022-12-30 CN disclosed