SCHEMBL24745871

SCHEMBL24745871

CC1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)COC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.47
EGLN2 Q96KS0 1/20 0.40
CXCR2 P25025 4/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
LMNA P02545 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL24745857 0.90 BACE1 (0.43) BACE1EGLN2CXCR2CA1CA2
SCHEMBL24745878 0.88 CNR1 (0.42) BACE1EGLN2CXCR2CA1CA2
SCHEMBL24746068 0.82 CXCR2 (0.39) CXCR2CA1CA2CA9CNR1
SCHEMBL5918956 0.82 HDAC1 (0.41) BACE1CXCR2CA1CA2CA9
SCHEMBL3726907 0.82 CXCR2 (0.41) CXCR2CA1CA2CA9PDGFRB
SCHEMBL24746078 0.81 CXCR2 (0.36) BACE1CXCR2CA1CA2CA9
SCHEMBL25274581 0.81 MET (0.47) CXCR2KDR
SCHEMBL24746065 0.80 CETP (0.39) CXCR2CA1CA2CA9CNR1
SCHEMBL20972012 0.80 IDO1 (0.50) CXCR2
SCHEMBL12290584 0.80 ALDH1A1 (0.40) CXCR2CA1CA2CA9LMNA

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