SCHEMBL7540482

SCHEMBL7540482

NC(=O)NCCc1nc2c(s1)C(Sc1ccccc1)(Sc1ccccc1)CCC2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.34
BTK Q06187 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
TAAR1 Q96RJ0 2/20 0.30
MAOB P27338 1/20 0.30
SNCA P37840 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL7540486 0.73 SLC27A1 (0.33) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL1439724 0.58 CA12 (0.63) MTNR1AMAPTALDH1A1LMNATAAR1
Urea SCHEMBL28195209 0.57 CA12 (0.61) MTNR1AMAPTALDH1A1LMNATAAR1
SCHEMBL34467344 0.55 ADORA1 (0.42) MAPTMEN1ALDH1A1KMT2ALMNA
SCHEMBL5815988 0.55 BTK (0.46) BTKMAPTALDH1A1LMNAPDE10A
SCHEMBL1444688 0.55 CYP2A6 (0.51) MTNR1AMEN1KMT2ALMNA
SCHEMBL4967515 0.54 SIRT1 (0.39) MAPTMEN1ALDH1A1KMT2A
SCHEMBL31065216 0.54 MAPK1 (0.33) MAPTALDH1A1LMNA
SCHEMBL1953254 0.53 L3MBTL1 (0.68) MAPTALDH1A1KMT2ATAAR1
SCHEMBL2755853 0.53 MAPK1 (0.60) MAPTMEN1ALDH1A1KMT2ALMNA

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-1254123-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2002-11-06 EP disclosed
WO-2001057008-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-08-09 WO disclosed