SCHEMBL30453213

SCHEMBL30453213

Cc1c(-c2ccc3ccccc3c2)cnc(C(=O)O)c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
ALOX5 P09917 1/20 0.42
DHODH Q02127 4/20 0.41
P2RY14 Q15391 1/20 0.41
P4HTM Q9NXG6 1/20 0.40
FTO Q9C0B1 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
CTRC Q99895 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39

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
SCHEMBL24257621 1.00 MCL1 (0.44) MCL1MRGPRX4ALOX5DHODHP2RY14
SCHEMBL24257684 0.88 NPC1 (0.43) MCL1DHODHMEN1KMT2A
SCHEMBL30452976 0.88 NPC1 (0.43) MCL1DHODHMEN1KMT2A
Nitrous Acid SCHEMBL29248926 0.86 NPC1 (0.41) MCL1DHODHEGLN1MEN1KMT2A
SCHEMBL24257668 0.85 FFAR1 (0.43) MRGPRX4DHODHP2RY14EGLN1
SCHEMBL24257759 0.85 KDM4E (0.42) MCL1DHODHP4HTM
SCHEMBL30453121 0.84 MAOB (0.47) MRGPRX4DHODHKMT2A
SCHEMBL24257539 0.84 MCL1 (0.44) MCL1MRGPRX4DHODH
SCHEMBL24257685 0.84 MAOB (0.47) MRGPRX4DHODHKMT2A
SCHEMBL24257792 0.83 EGLN1 (0.46) FTOEGLN1EGLN3MEN1KMT2A

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-116670131-A PHD inhibitor compounds, compositions, and methods of use 阿克比治疗有限公司 2023-08-29 CN disclosed
EP-4196466-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2023-06-21 EP disclosed