SCHEMBL24745854

SCHEMBL24745854

Cc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cc1C(=O)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.46
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 3/20 0.40
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 3/20 0.39
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL24746242 0.95 HPGD (0.43) HPGDKMT2AMEN1L3MBTL3L3MBTL1
SCHEMBL24746079 0.90 HPGD (0.48) HPGDKMT2AMEN1CNR1ALDH1A1
SCHEMBL31464632 0.86 PARP1 (0.38) KMT2AMEN1L3MBTL3L3MBTL1CNR1
SCHEMBL10060722 0.86 CPS1 (0.44) HPGDCNR1ALDH1A1TSHRSMN1; SMN2
SCHEMBL24745853 0.85 MEN1 (0.53) HPGDKMT2AMEN1CNR1ALDH1A1
SCHEMBL29891170 0.84 HPGD (0.42) HPGDKMT2AMEN1L3MBTL3L3MBTL1
SCHEMBL24746182 0.84 HPGD (0.42) HPGDKMT2AMEN1L3MBTL3L3MBTL1
SCHEMBL31464596 0.83 POLB (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL24745881 0.83 MEN1 (0.54) HPGDKMT2AMEN1ALDH1A1TSHR
SCHEMBL24746241 0.82 MEN1 (0.53) HPGDKMT2AMEN1CNR1ALDH1A1

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
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed