SCHEMBL5596653

SCHEMBL5596653

[c]1nc(N2CCC(n3nnc4ccccc43)CC2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.42
ALDH1A1 P00352 4/20 0.41
USP2 O75604 4/20 0.41
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR119 Q8TDV5 4/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BAP1 Q92560 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL5596399 0.78 HTR1A (0.48) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL5596130 0.73 IRAK4 (0.44) ALDH1A1NPC1RAB9AL3MBTL1LMNA
SCHEMBL5596899 0.73 USP2 (0.47) SCDALDH1A1USP2MEN1NPC1
SCHEMBL6923251 0.69 MAPT (0.36) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL4024340 0.69 MAPK10 (0.52) SCDALDH1A1USP2MEN1NPC1
SCHEMBL5566135 0.67 SCD (0.45) SCDALDH1A1USP2MEN1NPC1
SCHEMBL5633033 0.66 USP2 (0.58) SCDALDH1A1USP2MEN1NPC1
Lithium Ion SCHEMBL5633232 0.65 USP2 (0.57) SCDALDH1A1USP2MEN1NPC1
SCHEMBL11201625 0.64 USP2 (0.58) SCDALDH1A1USP2MEN1NPC1
SCHEMBL12153235 0.64 USP2 (0.58) SCDALDH1A1USP2MEN1NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP claimed
EP-1110957-A1 Benzazole derivatives and their use as JNK modulators Applied Research Systems ARS Holding N.V. (AN) 2001-06-27 EP claimed
EP-1240164-B1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS (AN) 2003-11-12 EP disclosed
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP disclosed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO disclosed