SCHEMBL30765637

SCHEMBL30765637

O=C(Cn1c(-c2ccccc2)ncc(NC(=O)c2ccc(-c3nccs3)cc2)c1=O)NCc1cc2cnccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NTRK1 P04629 5/20 0.40
CMA1 P23946 4/20 0.40
NTRK3 Q16288 1/20 0.38
CASP1 P29466 1/20 0.38
MAPK14 Q16539 1/20 0.37
SMO Q99835 1/20 0.37
ELANE P08246 2/20 0.37
CTRC Q99895 1/20 0.37
F3 P13726 1/20 0.36

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
SCHEMBL30765488 0.94 NTRK1 (0.46) HDAC1HDAC2NTRK1CMA1NTRK3
SCHEMBL31558568 0.92 NTRK1 (0.45) HDAC1HDAC2NTRK1CMA1NTRK3
SCHEMBL30765974 0.87 CASP1 (0.44) HDAC1HDAC2NTRK1CMA1NTRK3
SCHEMBL30765954 0.86 HDAC1 (0.40) HDAC1HDAC2NTRK1CMA1NTRK3
SCHEMBL30765680 0.84 MAPK14 (0.49) NTRK1NTRK3MAPK14SMO
SCHEMBL30765697 0.83 F2 (0.43) HDAC6NTRK1CMA1NTRK3CASP1
SCHEMBL30765624 0.82 CASP1 (0.42) HDAC1NTRK1CMA1NTRK3CASP1
SCHEMBL31558593 0.82 CMA1 (0.39) NTRK1CMA1NTRK3CTRCF3
SCHEMBL30766005 0.81 CASP1 (0.41) HDAC1NTRK1CMA1NTRK3CASP1
SCHEMBL30765851 0.81 NTRK1 (0.40) HDAC1HDAC2HDAC3HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568666-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Alexion Pharmaceuticals, Inc. (US) 2025-06-18 EP disclosed
CN-119768164-A Pharmaceutical compounds for treating complement-mediated disorders 阿雷克森制药公司 2025-04-04 CN disclosed
WO-2024035686-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-15 WO disclosed