SCHEMBL28032853

SCHEMBL28032853

Nc1cc(-c2cc(C3CC3)[nH]n2)nc(C[SH](=O)=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 3/20 0.39
▸ HCAR3 P49019 1/20 0.39
▸ MKNK1 Q9BUB5 4/20 0.38
▸ MKNK2 Q9HBH9 4/20 0.38
▸ DRD4 P21917 5/20 0.34
▸ DRD2 P14416 4/20 0.33
▸ DRD3 P35462 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ S1PR2 O95136 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CCNA2 P20248 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CCNA1 P78396 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32

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
SCHEMBL28269313 0.79 NPC1 (0.38) HCAR2MAPTSMN1; SMN2CYP1A2CYP2D6
SCHEMBL28032854 0.73 HCAR2 (0.40) HCAR2HCAR3MKNK1MKNK2DRD4
SCHEMBL28033351 0.72 HCAR2 (0.41) HCAR2HCAR3MKNK1MKNK2DRD4
SCHEMBL27983075 0.66 HCAR2 (0.50) HCAR2HCAR3MKNK1MKNK2DRD4
SCHEMBL56939 0.65 — —
Hydrochloric Acid SCHEMBL17107724 0.63 HCAR2 (0.48) HCAR2HCAR3MKNK1MKNK2CCNA2
SCHEMBL30558789 0.63 MKNK1 (0.54) HCAR2HCAR3MKNK1MKNK2LMNA
SCHEMBL27977175 0.63 MKNK1 (0.54) HCAR2HCAR3MKNK1MKNK2LMNA
SCHEMBL4457723 0.60 HCAR2 (0.43) HCAR2HCAR3MKNK1MKNK2LMNA
SCHEMBL4455888 0.60 HCAR2 (0.43) HCAR2HCAR3MKNK1MKNK2DRD4

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
Send feedback