SCHEMBL26540306

SCHEMBL26540306

CN(CCNC=O)C(=O)OCc1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.44
▸ TPSAB1 Q15661 1/20 0.44
▸ F13A1 P00488 1/20 0.38
▸ TGM2 P21980 1/20 0.38
▸ TGM1 P22735 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ PHLPP2 Q6ZVD8 1/20 0.37
▸ TSHR P16473 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ SCN1A P35498 1/20 0.34
▸ SCN2A Q99250 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
SCHEMBL25567572 0.80 PHLPP2 (0.49) PRSS1TPSAB1F13A1TGM2TGM1
SCHEMBL26560436 0.80 PRSS1 (0.47) PRSS1TPSAB1F13A1TGM2TGM1
SCHEMBL25686449 0.78 PRSS1 (0.45) PRSS1TPSAB1F13A1TGM2TGM1
SCHEMBL22423720 0.78 PRSS1 (0.45) PRSS1TPSAB1F13A1TGM2TGM1
SCHEMBL21896174 0.77 PRSS1 (0.49) PRSS1TPSAB1PHLPP2TSHRALDH1A1
SCHEMBL25570107 0.76 PRSS1 (0.43) PRSS1TPSAB1F13A1TGM2TGM1
SCHEMBL25567568 0.76 PRSS1 (0.43) PRSS1TPSAB1F13A1TGM2TGM1
SCHEMBL25124090 0.75 TPSAB1 (0.42) PRSS1TPSAB1F13A1TGM2TGM1
SCHEMBL20630435 0.75 PRSS1 (0.53) PRSS1TPSAB1HDAC1PHLPP2ALDH1A1
SCHEMBL21702539 0.74 PRSS1 (0.41) PRSS1TPSAB1F13A1TGM2TGM1

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-4257154-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2023-10-11 — — EP disclosed
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