SCHEMBL4038441

SCHEMBL4038441

Cc1noc(-c2ccc(CNCCc3cccnc3)cc2)c1NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
LPAR1 Q92633 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HTR5A P47898 2/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42

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
SCHEMBL4035059 0.88 ALDH1A1 (0.51) HDAC1LPAR1KDM4EMAPTALDH1A1
SCHEMBL4031792 0.82 KDM4E (0.45) LPAR1KDM4EMAPTHTR5AALDH1A1
SCHEMBL4030885 0.82 LPAR1 (0.66) HDAC1LPAR1KDM4EMAPTTP53
SCHEMBL4029454 0.81 MAPT (0.46) HDAC1LPAR1KDM4EMAPTMEN1
SCHEMBL4037667 0.79 LPAR1 (0.48) HDAC1LPAR1KDM4EMAPTTP53
SCHEMBL4032063 0.76 LPAR1 (0.47) LPAR1KDM4EMAPTALDH1A1MEN1
SCHEMBL4031158 0.75 MEN1 (0.43) HDAC1LPAR1HTR5AHTR1ADRD2
SCHEMBL4029548 0.75 ATM (0.57) LPAR1KDM4EMAPTTP53TSHR
SCHEMBL3706068 0.73 MAPT (0.52) HDAC1LPAR1KDM4EMAPTTP53
SCHEMBL4028773 0.72 MAPT (0.53) LPAR1KDM4EMAPTTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP claimed