SCHEMBL6413455

SCHEMBL6413455

COc1ccc2c(c1OC)C=NCC2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.38
ACHE P22303 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
HTR2C P28335 1/20 0.36
CES2 O00748 4/20 0.36
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS2 P35354 1/20 0.34
GAA P10253 1/20 0.33
MAOA P21397 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL11366632 0.79 ATM (0.45) KDM4EMAPTLMNAACHEALDH1A1
SCHEMBL9573511 0.77 HTR2C (0.47) ACHEHTR2C
Hydrochloric Acid SCHEMBL1132331 0.76 HTR2C (0.46) ACHEHTR2C
SCHEMBL9573096 0.73 HTR2C (0.45) KDM4EACHEALDH1A1HPGDHTR2C
SCHEMBL9573206 0.72 ALDH1A1 (0.44) KDM4EMAPTACHEALDH1A1HPGD
SCHEMBL9404873 0.71 KDM4E (0.40) KDM4EMAPTLMNAACHEALDH1A1
Hydrochloric Acid SCHEMBL8982875 0.71 ATM (0.44) KDM4EMAPTALDH1A1HPGDCES2
SCHEMBL10345542 0.69 KDM4E (0.45) KDM4ELMNAACHEALDH1A1HPGD
SCHEMBL9404766 0.69 KDM4E (0.44) KDM4EMAPTLMNAACHEALDH1A1
SCHEMBL1427593 0.69 ACHE (0.37) KDM4EMAPTLMNAACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597264-A2 ANTIPARASITIC TERPENE ALKALOIDS Pfizer Limited (GB) 2005-11-23 EP disclosed
WO-2004072086-A2 ANTIPARASITIC TERPENE ALKALOIDS PFIZER LIMITED (GB) 2004-08-26 WO disclosed
US-5229387-A Cardiovascular disorders, alpha2-adenoreceptor antagonist or hydroxytryptamine receivers as hypotensive agents SYNTEX (U.S.A.) INC. (US) 1993-07-20 US disclosed
EP-0524004-A1 Decahydro-8H-isoquino[2,1-g][1,6]naphthyridine and decahydrobenzo[a]pyrrolo[2,3-e]quinolizine derivatives SYNTEX (U.S.A.) INC. (US) 1993-01-20 EP disclosed