SCHEMBL7620124

SCHEMBL7620124

[c]1c(C2CCCC2)[nH]c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RB1 P06400 4/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
KCNH2 Q12809 2/20 0.33
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
PDE9A O76083 2/20 0.31
DRD2 P14416 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL7615032 0.78 PDE10A (0.32) PDE9A
SCHEMBL18138933 0.74 NPC1 (0.36) LMNASMN1; SMN2HTR2AALDH1A1HPGD
SCHEMBL11499685 0.70
SCHEMBL2230518 0.69 ALDH1A1 (0.35) LMNASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL11785225 0.68 ALDH1A1 (0.38) LMNASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL1388471 0.64 ALDH1A1 (0.35) LMNASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL4466423 0.64 ALDH1A1 (0.35) LMNASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL8588800 0.64 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1POLBMAPTHPGD
SCHEMBL29547 0.64 AHR (0.37) LMNASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL29208908 0.64 ACHE (0.41) LMNASMN1; SMN2ALDH1A1MAPTHPGD

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-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP claimed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO claimed