SCHEMBL11267673

SCHEMBL11267673

C=CCOCC(O)COc1ccc(C)cc1-n1nc2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
POLB P06746 1/20 0.53
NPC1 O15118 9/20 0.50
RAB9A P51151 9/20 0.50
MAPT P10636 8/20 0.50
ALDH1A1 P00352 7/20 0.50
HPGD P15428 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 7/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL11263116 0.84 KDM4E (0.71) KDM4EPOLBNPC1RAB9AMAPT
SCHEMBL11276494 0.83 KDM4E (0.63) KDM4EPOLBNPC1RAB9AMAPT
SCHEMBL28937926 0.74 ADRB2 (0.39) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL11263845 0.74 KDM4E (0.66) KDM4EPOLBNPC1RAB9AMAPT
SCHEMBL5683248 0.73 KDM4E (0.62) KDM4EPOLBNPC1RAB9AMAPT
SCHEMBL11269773 0.73 KDM4E (0.69) KDM4EPOLBNPC1RAB9AMAPT
SCHEMBL29669640 0.73 KDM4E (0.70) KDM4EPOLBNPC1RAB9AMAPT
SCHEMBL11269758 0.73 KDM4E (0.69) KDM4EPOLBNPC1RAB9AMAPT
SCHEMBL28759994 0.73 KDM4E (0.70) KDM4EPOLBNPC1RAB9AMAPT
SCHEMBL8057746 0.73 KMT2A (0.55) KDM4EPOLBNPC1RAB9AMAPT

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-4321396-A Copolymerizable, ultraviolet light absorber allyloxy-2-(2H-benzotriazol-2-yl)-4-alkylbenzenes GAF CORPORATION (US) 1982-03-23 US disclosed