SCHEMBL11240914

SCHEMBL11240914

COc1ccc(CC2=NCCc3cc(OC)c(OCc4ccccc4)cc32)cc1OC

nearest known ligand 0.87

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.72
KDM4E B2RXH2 3/20 0.63
GLA P06280 1/20 0.63
RCE1 Q9Y256 1/20 0.63
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP2C9 P11712 1/20 0.49
BLM P54132 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
CHRNA7 P36544 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
Hydrochloric Acid SCHEMBL9416541 0.99 RAD52 (0.71) RAD52KDM4EGLARCE1ALDH1A1
SCHEMBL18736054 0.98 RAD52 (0.69) RAD52KDM4EGLARCE1ALDH1A1
SCHEMBL7987730 0.93 KDM4E (0.68) RAD52KDM4EGLARCE1ALDH1A1
SCHEMBL17212226 0.89 RAD52 (0.61) RAD52KDM4EGLARCE1ALDH1A1
SCHEMBL29617588 0.89 RAD52 (0.86) RAD52KDM4EGLARCE1ALDH1A1
SCHEMBL2742520 0.89 RAD52 (0.86) RAD52KDM4EGLARCE1ALDH1A1
Hydrochloric Acid SCHEMBL10922413 0.88 RAD52 (0.56) RAD52KDM4EGLARCE1ALDH1A1
Hydrochloric Acid SCHEMBL10926009 0.88 RAD52 (0.56) RAD52KDM4EGLARCE1ALDH1A1
SCHEMBL10967087 0.88 KDM4E (0.74) RAD52KDM4EGLARCE1ALDH1A1
SCHEMBL17381541 0.88 KDM4E (0.70) RAD52KDM4EGLARCE1ALDH1A1

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
US-4309542-A WITH A TRIMETHYLPHENYLAMMONIUM BASE WARNER-LAMBERT COMPANY (US) 1982-01-05 US disclosed