SCHEMBL5596899

SCHEMBL5596899

[c]1ccnc(N2CCC(n3nnc4ccccc43)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 6/20 0.47
ALDH1A1 P00352 4/20 0.47
SCD O00767 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TSHR P16473 1/20 0.45
BAP1 Q92560 1/20 0.45
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL12153235 0.76 USP2 (0.58) USP2ALDH1A1SCDMEN1KMT2A
SCHEMBL5633033 0.75 USP2 (0.58) USP2ALDH1A1SCDMEN1KMT2A
SCHEMBL2884104 0.74 ALDH1A1 (0.42) USP2ALDH1A1SCDMEN1KMT2A
Lithium Ion SCHEMBL5633232 0.73 USP2 (0.57) USP2ALDH1A1SCDMEN1KMT2A
SCHEMBL5596653 0.73 SCD (0.42) USP2ALDH1A1SCDMEN1KMT2A
SCHEMBL11201625 0.73 USP2 (0.58) USP2ALDH1A1SCDMEN1KMT2A
SCHEMBL13875589 0.72 USP2 (0.63) USP2ALDH1A1SCDMEN1KMT2A
SCHEMBL8253693 0.72 USP2 (0.59) USP2ALDH1A1SCDMEN1KMT2A
SCHEMBL16372562 0.71 USP2 (0.66) USP2ALDH1A1SCDMEN1KMT2A
SCHEMBL29152989 0.71 USP2 (0.66) USP2ALDH1A1SCDMEN1KMT2A

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-1240164-B1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS (AN) 2003-11-12 EP claimed
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
EP-1110957-A1 Benzazole derivatives and their use as JNK modulators Applied Research Systems ARS Holding N.V. (AN) 2001-06-27 EP disclosed