SCHEMBL28940818

SCHEMBL28940818

Cn1c(S)nnc1C(F)(F)C(C)(O)c1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.45
▸ ACSS2 Q9NR19 1/20 0.41
▸ SYK P43405 1/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ CYP17A1 P05093 1/20 0.38
▸ AURKB Q96GD4 1/20 0.37
▸ RORC P51449 2/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ CBLB Q13191 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL29626649 1.00 RXFP1 (0.45) RXFP1ACSS2SYKAKR1C3BRD4
SCHEMBL21200369 0.88 AKR1C3 (0.40) ACSS2AKR1C3CBLBTSHRSMN1; SMN2
SCHEMBL22944950 0.83 CBLB (0.52) RXFP1ACSS2SYKAKR1C3BRD4
SCHEMBL29640156 0.83 CBLB (0.52) RXFP1ACSS2SYKAKR1C3BRD4
SCHEMBL24660946 0.82 RXFP1 (0.46) RXFP1ACSS2SYKCYP17A1AURKB
SCHEMBL29866989 0.78 HCRTR1 (0.45) RXFP1ACSS2SYKBRD4CYP17A1
SCHEMBL28741805 0.76 MEN1 (0.40) HCRTR1HCRTR2CBLB
SCHEMBL1013325 0.74 RXFP1 (0.73) RXFP1L3MBTL1SMN1; SMN2ALDH1A1GAA
SCHEMBL30042580 0.74 RXFP1 (0.73) RXFP1L3MBTL1SMN1; SMN2ALDH1A1GAA
SCHEMBL22944961 0.73 CBLB (0.62) RXFP1ACSS2AKR1C3RORCCBLB

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-114450271-B Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2024-09-20 — — CN disclosed
CN-114450271-A Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2022-05-06 — — CN disclosed
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