SCHEMBL28032854

SCHEMBL28032854

CS(=O)(=O)c1nc(N)cc(-c2cc(C3CC3)[nH]n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.40
▸ HCAR3 P49019 1/20 0.40
▸ MKNK1 Q9BUB5 3/20 0.39
▸ MKNK2 Q9HBH9 3/20 0.39
▸ TLR8 Q9NR97 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ HTT P42858 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CCNA2 P20248 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ S1PR2 O95136 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL28269314 0.80 NPC1 (0.41) HCAR2KMT2AMEN1HTTLMNA
SCHEMBL28033351 0.76 HCAR2 (0.41) HCAR2HCAR3MKNK1MKNK2KMT2A
SCHEMBL28032853 0.73 HCAR2 (0.39) HCAR2HCAR3MKNK1MKNK2KMT2A
SCHEMBL2878902 0.72 MEN1 (0.43) HCAR2HCAR3MKNK1MKNK2KMT2A
SCHEMBL27983075 0.70 HCAR2 (0.50) HCAR2HCAR3MKNK1MKNK2KMT2A
SCHEMBL15667945 0.67 PIK3C3 (0.52) CCNA2CDK2
SCHEMBL56939 0.66 — —
SCHEMBL31135000 0.65 LOXL2 (0.36) KMT2AMEN1HTTLMNASMN1; SMN2
SCHEMBL5022939 0.65 CCR1 (0.44) KMT2AMEN1HTTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL17107724 0.64 HCAR2 (0.48) HCAR2HCAR3MKNK1MKNK2CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105377261-A Substituted indol-5-ol derivatives and their therapeutic use NANTBIO INC 2016-03-02 — — CN disclosed
CN-104955459-A Substituted indol-5-ol derivatives and their therapeutical applications NANT HOLDINGS IP LLC 2015-09-30 — — CN disclosed
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