SCHEMBL30487724

SCHEMBL30487724

COC(=O)c1sccc1Cn1ccc2ccc(C#N)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ KDM4E B2RXH2 6/20 0.47
▸ HSD17B10 Q99714 5/20 0.47
▸ TSHR P16473 5/20 0.47
▸ HPGD P15428 5/20 0.47
▸ POLB P06746 3/20 0.47
▸ USP2 O75604 2/20 0.47
▸ GLA P06280 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 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
SCHEMBL30487729 0.88 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL25423743 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL30487730 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL29587499 0.74 KDM5A (0.45) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL25424837 0.74 KDM5A (0.45) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL29208457 0.73 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL24071313 0.72 HDAC8 (0.57) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL25424830 0.70 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL31200448 0.70 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL28573114 0.70 HDAC6 (0.58) KDM4EHTTHDAC8HDAC3HDAC4

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
CN-116391129-A Target binding assays for RAS proteins 普罗美加公司 2023-07-04 — — CN disclosed
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