SCHEMBL31347280

SCHEMBL31347280

CSCCC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Br)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
CA2 P00918 2/20 0.49
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.43

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
SCHEMBL6557192 0.85 CTSS (0.56) KMT2AMEN1CTSSCTSKCA2
SCHEMBL31075491 0.85 CTSS (0.56) KMT2AMEN1CTSSCTSKCA2
SCHEMBL11036298 0.81 HDAC4 (0.53) KMT2AMEN1CTSSCTSKCA2
SCHEMBL6555098 0.81 CTSS (0.56) KMT2AMEN1CTSSCTSKCA2
SCHEMBL23975809 0.80 CTSS (0.61) CTSSCTSKCA2HDAC4HDAC1
SCHEMBL7414154 0.80 CTSS (0.61) CTSSCTSKCA2HDAC4HDAC1
SCHEMBL7414151 0.80 CTSS (0.61) CTSSCTSKCA2HDAC4HDAC1
SCHEMBL21585117 0.80 CA2 (0.56) KMT2AMEN1CTSSCTSKCA2
SCHEMBL6555039 0.79 HDAC4 (0.55) KMT2AMEN1CTSSCTSKCA2
SCHEMBL21585118 0.79 CA2 (0.55) KMT2AMEN1CTSSCTSKCA2

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-2025021189-A1 OXYGEN-CONTAINING FUSED TRICYCLIC DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海拓界生物医药科技有限公司 2025-01-30 WO disclosed