SCHEMBL26476552

SCHEMBL26476552

Cn1ccc(=O)n2nccc12

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.33
CRBN Q96SW2 1/20 0.32
BRD4 O60885 1/20 0.32
TAF1 P21675 1/20 0.32
BRPF1 P55201 1/20 0.32
CREBBP Q92793 1/20 0.32
CECR2 Q9BXF3 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KDM6A O15550 1/20 0.31
KDM4A O75164 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM5C P41229 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
DOHH Q9BU89 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
HDAC6 Q9UBN7 2/20 0.30

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
SCHEMBL31001926 0.68 CYP1A2 (0.35) BRD4BRPF1BRD9CYP2C9
SCHEMBL5492782 0.66
SCHEMBL14557162 0.64 PDE10A (0.36)
Hydrochloric Acid SCHEMBL8978003 0.64 INMT (0.32)
SCHEMBL20587988 0.62 KDM4E (0.33) CRBNBRD4TAF1BRPF1CREBBP
SCHEMBL20588488 0.62 HAVCR2 (0.34) CRBNBRD4TAF1BRPF1CREBBP
SCHEMBL16376220 0.61 CYP1A2 (0.39) CYP2C9
SCHEMBL22071869 0.60 ADORA3 (0.36) CRBNBRD4TAF1BRPF1CREBBP
SCHEMBL16376212 0.59 KDM4E (0.40) KDM4ECYP2C9
SCHEMBL21895450 0.59 ADORA2A (0.34)

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-2023072273-A1 POLYCYCLIC COMPOUND AS CBL-B INHIBITOR 先声再明医药有限公司 2023-05-04 WO disclosed