SCHEMBL29377697

SCHEMBL29377697

COc1cc2c(=O)n(C)cnc2cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.48
KDM4E B2RXH2 1/20 0.46
TNF P01375 3/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ACVR1 Q04771 2/20 0.42
IP6K1 Q92551 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL22323913 1.00 HDAC6 (0.48) HDAC6KDM4ETNFTSHRMAPK1
SCHEMBL28689988 0.94 HDAC6 (0.48) HDAC6KDM4ETNFTSHRMAPK1
SCHEMBL28703844 0.92 HDAC6 (0.45) HDAC6KDM4ETNFTSHRMAPK1
SCHEMBL4728366 0.87 HDAC6 (0.59) HDAC6KDM4ETNFTSHRMAPK1
SCHEMBL22323965 0.86 KDM4E (0.42) HDAC6KDM4ETNFTSHRMAPK1
SCHEMBL29447051 0.86 KDM4E (0.42) HDAC6KDM4ETNFTSHRMAPK1
SCHEMBL24165356 0.83 HDAC6 (0.49) HDAC6KDM4ETNFTSHRMAPK1
SCHEMBL19645655 0.82 HDAC6 (0.51) HDAC6KDM4ETNFTSHRMAPK1
SCHEMBL24166144 0.79 HDAC6 (0.49) HDAC6KDM4ETNFTSHRMAPK1
SCHEMBL4782862 0.79 HDAC6 (0.51) HDAC6KDM4ETNFTSHRMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4192454-A1 COMPOSITIONS FOR MODULATING SPLICING Skyhawk Therapeutics, Inc. (US) 2023-06-14 EP disclosed
CN-114126613-A Methods and compositions for modulating splicing 斯基霍克疗法公司 2022-03-01 CN disclosed
WO-2022031998-A2 PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL IN THE PREPARATION OF COMPOUNDS THAT MODULATE SPLICING SKYHAWK THERAPEUTICS, INC. (US) 2022-02-10 WO disclosed
WO-2022031838-A1 COMPOSITIONS FOR MODULATING SPLICING SKYHAWK THERAPEUTICS, INC. (US) 2022-02-10 WO disclosed