SCHEMBL24746241

SCHEMBL24746241

COc1cc(F)c(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HPGD P15428 4/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.44
GAA P10253 1/20 0.42
CPS1 P31327 2/20 0.42
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CNR1 P21554 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL24745853 0.95 MEN1 (0.53) MEN1KMT2AHPGDLMNATSHR
SCHEMBL24745881 0.94 MEN1 (0.54) MEN1KMT2AHPGDLMNATSHR
SCHEMBL24746242 0.85 HPGD (0.43) MEN1KMT2AHPGDTSHRPOLB
SCHEMBL24746079 0.84 HPGD (0.48) MEN1KMT2AHPGDTSHRPOLB
SCHEMBL24745867 0.84 HPGD (0.41) MEN1KMT2AHPGDPOLBGAA
SCHEMBL29891362 0.84 SMN1; SMN2 (0.44) MEN1KMT2AHPGDLMNATSHR
SCHEMBL24747196 0.84 SMN1; SMN2 (0.44) MEN1KMT2AHPGDLMNATSHR
SCHEMBL24745854 0.82 HPGD (0.46) MEN1KMT2AHPGDTSHRGAA
SCHEMBL10060722 0.81 CPS1 (0.44) HPGDTSHRPOLBCPS1ALDH1A1
SCHEMBL24515305 0.80 KDM4E (0.41) HPGDLMNAHTTNPC1ALDH1A1

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