SCHEMBL16486196

SCHEMBL16486196

CCOc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.69
▸ HTT P42858 4/20 0.69
▸ NPSR1 Q6W5P4 4/20 0.69
▸ LMNA P02545 3/20 0.69
▸ THRB P10828 2/20 0.61
▸ HIF1A Q16665 1/20 0.59
▸ CRHBP P24387 1/20 0.58
▸ CRHR2 Q13324 1/20 0.58
▸ HPGD P15428 3/20 0.57
▸ MAPT P10636 6/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ TP53 P04637 3/20 0.54
▸ TSHR P16473 4/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ USP2 O75604 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ PKM P14618 1/20 0.51

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
SCHEMBL16486457 0.78 PTK2 (0.61) HTTLMNAMAPK1TSHRALDH1A1
SCHEMBL11511915 0.78 LMNA (0.61) SMN1; SMN2HTTNPSR1LMNATHRB
SCHEMBL15983661 0.75 HIF1A (1.00) SMN1; SMN2HTTNPSR1LMNAHIF1A
SCHEMBL6404885 0.73 TSHR (0.72) SMN1; SMN2HTTNPSR1LMNACRHBP
SCHEMBL27530845 0.72 SMN1; SMN2 (0.79) SMN1; SMN2HTTNPSR1LMNATHRB
SCHEMBL6403463 0.72 CYP3A4 (0.73) SMN1; SMN2NPSR1THRBHPGDMAPT
SCHEMBL11919929 0.72 NPSR1 (0.69) SMN1; SMN2HTTNPSR1LMNATHRB
SCHEMBL6406121 0.71 SMN1; SMN2 (0.65) SMN1; SMN2HTTNPSR1LMNAHPGD
SCHEMBL31411197 0.71 SMN1; SMN2 (0.63) SMN1; SMN2HTTNPSR1LMNACRHBP
SCHEMBL11919922 0.71 THRB (0.60) SMN1; SMN2HTTNPSR1LMNATHRB

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
WO-2015021943-A9 INDUCING NEUROGENESIS BY AXIN ENHANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-12-30 — — WO disclosed
WO-2015021943-A1 INDUCING NEUROGENESIS BY AXIN ENHANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-02-19 — — WO disclosed
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