SCHEMBL12345536

SCHEMBL12345536

OCc1c(Cc2ccccc2)cnc2ccc(Br)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ PIK3R1 P27986 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ GABRA1 P14867 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRA6 Q16445 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ BCL2 P10415 1/20 0.36
▸ BCL2L1 Q07817 1/20 0.36

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
SCHEMBL12277480 0.80 PRNP (0.45) HTTLMNASMN1; SMN2CCNCCDK8
SCHEMBL13917362 0.78 HTT (0.45) HTTLMNASMN1; SMN2CCNCCDK8
SCHEMBL18450619 0.74 TNF (0.45) HTTLMNASMN1; SMN2CCNCCDK8
SCHEMBL12277481 0.68 HTT (0.41) HTTLMNASMN1; SMN2CCNCCDK8
SCHEMBL6193855 0.68 MMP13 (0.46) MMP13
SCHEMBL15648567 0.67 GABRA1 (0.44) HTTLMNASMN1; SMN2GABRA1GABRG2
SCHEMBL12266572 0.66 HTT (0.43) HTTLMNASMN1; SMN2CCNCCDK8
SCHEMBL20392630 0.65 SLC22A12 (0.48) HTTLMNACCNCCDK8MAPT
SCHEMBL30162599 0.65 ADORA2A (0.43) SMN1; SMN2L3MBTL1KMT2A
SCHEMBL27757810 0.65 ERN1 (0.43) HTTLMNASMN1; SMN2BCL2BCL2L1

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
EP-2301544-B1 Quinoline derivatives as intermediates to mycobacterial inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-19 — — EP disclosed
EP-2301544-A1 Quinoline derivatives as intermediates to mycobacterial inhibitors Janssen Pharmaceutica N.V. (BE) 2011-03-30 — — EP disclosed
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