SCHEMBL30800609

SCHEMBL30800609

COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.66
▸ MEN1 O00255 4/20 0.66
▸ HCRTR1 O43613 1/20 0.66
▸ IL1RN P18510 7/20 0.64
▸ ERAP2 Q6P179 6/20 0.64
▸ ERAP1 Q9NZ08 1/20 0.60
▸ MAPT P10636 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ MPO P05164 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ BLM P54132 1/20 0.60
▸ PMP22 Q01453 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ NPBWR1 P48145 1/20 0.59
▸ MCHR1 Q99705 1/20 0.59
▸ ACE P12821 1/20 0.58

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
SCHEMBL20829913 1.00 KMT2A (0.66) KMT2AMEN1HCRTR1IL1RNERAP2
SCHEMBL20829962 0.93 ERAP2 (0.61) KMT2AMEN1HCRTR1IL1RNERAP2
SCHEMBL20829978 0.93 OPRK1 (0.62) KMT2AMEN1HCRTR1IL1RNERAP2
SCHEMBL30374944 0.93 ERAP2 (0.61) KMT2AMEN1HCRTR1IL1RNERAP2
SCHEMBL11660007 0.93 IL1RN (0.61) KMT2AMEN1HCRTR1IL1RNERAP2
SCHEMBL30053300 0.92 ACE (0.59) KMT2AMEN1HCRTR1IL1RNERAP2
Hydrochloric Acid SCHEMBL11662208 0.92 IL1RN (0.61) KMT2AMEN1HCRTR1IL1RNERAP2
SCHEMBL7398615 0.91 IL1RN (0.67) KMT2AMEN1HCRTR1IL1RNERAP2
SCHEMBL17534499 0.91 MEN1 (0.61) KMT2AMEN1HCRTR1IL1RNERAP2
SCHEMBL11664273 0.91 IL1RN (0.67) IL1RNERAP2ERAP1

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
WO-2024041532-A1 TETRAVALENT PLATINUM-CONTAINING COMPLEX, PRODRUG, PREPARATION METHOD THEREFOR, AND USE THEREOF 赣州和美药业股份有限公司 2024-02-29 — — WO disclosed
CN-117603299-A Tetravalent platinum-containing complex, prodrug, preparation method and application thereof 赣州和美药业股份有限公司 2024-02-27 — — CN disclosed
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