SCHEMBL4201459

SCHEMBL4201459

COc1ccc(OC2=NC=CC(CC#N)N2c2nc3ccccc3s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.45
MAPT P10636 7/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
HTT P42858 3/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
GALK1 P51570 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPK1 P28482 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 3/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 3/20 0.39
PKM P14618 2/20 0.39

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
SCHEMBL6825722 0.93 LMNA (0.40) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL7710188 0.92 LMNA (0.40) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL4197137 0.91 MEN1 (0.41) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL7701881 0.89 ATP4A (0.41) KMT2AALDH1A1GAA
SCHEMBL7707443 0.89 RAB9A (0.44) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL4203402 0.87 RAB9A (0.43) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL5613949 0.84 PDE10A (0.36) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4186370 0.81 RAB9A (0.42) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL4190547 0.80 MAPK9 (0.39) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL5613965 0.80 ATP4A (0.35) LMNAMAPTMEN1KMT2ARAB9A

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-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed
WO-2006104983-A1 THERAPEUTIC METHODS FOR TYPE I DIABETES UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL (US) 2006-10-05 WO disclosed
EP-1696909-A1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES Applied Research Systems ARS Holding N.V. (AN) 2006-09-06 EP disclosed
WO-2005025567-A1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-03-24 WO disclosed