SCHEMBL27691534

SCHEMBL27691534

N#Cc1cccc(-c2sccc2CO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 5/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ NOTUM Q6P988 2/20 0.39
▸ XDH P47989 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ CYP1A2 P05177 5/20 0.38
▸ CYP3A4 P08684 5/20 0.38
▸ MAPK1 P28482 5/20 0.38
▸ CYP2D6 P10635 4/20 0.38
▸ CYP2C19 P33261 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ USP2 O75604 1/20 0.37

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
SCHEMBL27691521 0.81 PTGS1 (0.55) NOTUMMAPK1ALOX15KMT2APTGS1
SCHEMBL27691511 0.76 ADRA2C (0.44) CLK4ADRA2CNOTUMXDHSLC22A12
SCHEMBL5111011 0.75 TP53 (0.57) NOTUMMAPK1HSD17B10ALDH1A1ALOX15
SCHEMBL6166155 0.73 ADRA2C (0.68) CLK4ADRA2CXDHSLC22A12CYP1A2
SCHEMBL5446462 0.71 XDH (0.46) CLK4ADRA2CXDHSLC22A12CYP1A2
SCHEMBL688074 0.70 PRKCI (0.53) CLK4ADRA2CXDHSLC22A12CYP1A2
SCHEMBL2154026 0.70 CLK4 (0.65) CLK4ADRA2CNOTUMXDHSLC22A12
SCHEMBL27711670 0.70 BACE1 (0.43) CLK4ADRA2CNOTUMXDHSLC22A12
SCHEMBL7660410 0.69 MMP12 (0.55) CLK4XDHSLC22A12
SCHEMBL27691517 0.69 ESR2 (0.45) CYP1A2LMNAALDH1A1HPGDSMN1; SMN2

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-101061105-B Potentiators of glutamate receptors LILLY CO ELI 2012-05-30 — — CN disclosed
CN-101061105-A Potentiators of glutamate receptors LILLY CO ELI (US) 2007-10-24 — — CN disclosed
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