SCHEMBL2649211

SCHEMBL2649211

CCOC(=O)C1C=NC(C)=C(c2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTPN1 P18031 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
HPGDS O60760 1/20 0.40
PPARG P37231 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL2649546 0.87 HTT (0.44) RAB9AALDH1A1MAPTKDM4ENPC1
SCHEMBL2649991 0.87 LMNA (0.46) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL2648348 0.86 ALDH1A1 (0.47) RAB9AALDH1A1MAPTKDM4ENPC1
SCHEMBL2651383 0.84 KDM4E (0.39) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL2649285 0.83 RAB9A (0.48) RAB9AALDH1A1MAPTLMNAGAA
SCHEMBL2649623 0.82 CNR2 (0.43)
SCHEMBL2649291 0.81 MAPT (0.50) RAB9AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2649630 0.81 TDP1 (0.42) RAB9AALDH1A1MAPTKDM4ENPC1
SCHEMBL2649878 0.81 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL10460642 0.79 HSP90AA1 (0.33) RAB9AALDH1A1MAPTKDM4ENPC1

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-1064283-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2001-01-03 EP disclosed
WO-1999048892-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-09-30 WO disclosed
US-4964896-A GAMETOCIDES MONSANTO COMPANY (US) 1990-10-23 US disclosed
US-4936904-A Aryl-4-oxonicotinates useful for inducing male sterility in cereal grain plants MONSANTO TECHNOLOGY LLC 1990-06-26 US disclosed
US-4714492-A HYBRIDIZATION AGENTS ROHM AND HAAS COMPANY (US) 1987-12-22 US disclosed