SCHEMBL4034308

SCHEMBL4034308

CCc1noc(-c2ccccc2)c1NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
LPAR1 Q92633 2/20 0.48
LPAR3 Q9UBY5 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PTGS1 P23219 1/20 0.44
PTPN1 P18031 1/20 0.43
IP6K1 Q92551 2/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
NR4A2 P43354 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 3/20 0.40
IP6K3 Q96PC2 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL4304 0.87 RAB9A (0.40) KDM4EMAPTLPAR1LPAR3NPC1
SCHEMBL4036888 0.86 LPAR1 (0.47) KDM4EMAPTLPAR1LPAR3NPC1
SCHEMBL4033611 0.85 LPAR1 (0.40) KDM4EMAPTLPAR1LPAR3NPC1
SCHEMBL4031154 0.84 ALDH1A1 (0.41) KDM4EMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL4035675 0.83 MAPT (0.67) KDM4EMAPTLPAR1LPAR3PTGS1
SCHEMBL8479643 0.78 TSHR (0.46) KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL11377985 0.78 PTGS1 (0.50) KDM4ENPC1RAB9APTGS1PTPN1
SCHEMBL4032733 0.77 LPAR1 (0.65) KDM4EMAPTLPAR1LPAR3
SCHEMBL11517550 0.76 PTGS1 (0.48) KDM4EMAPTNPC1RAB9APTGS1
SCHEMBL343798 0.75 LPAR1 (0.65) MAPTLPAR1LPAR3NPC1RAB9A

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