SCHEMBL73368

SCHEMBL73368

CC(C)OC(=O)Nc1ccnc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
HPGD P15428 2/20 0.52
ALOX15 P16050 1/20 0.52
AR P10275 5/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
CYP2D6 P10635 1/20 0.49
RAB9A P51151 1/20 0.49
EGFR P00533 1/20 0.42
KDR P35968 1/20 0.42
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 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
SCHEMBL2637743 0.83 HPGD (0.61) KDM4EHPGDALOX15CYP1A2CYP2C9
SCHEMBL73570 0.82 KDM4E (0.54) KDM4EHPGDALOX15CYP1A2CYP2C9
SCHEMBL22550480 0.81 SMN1; SMN2 (0.56) KDM4EALOX15ARSMN1; SMN2HTT
SCHEMBL75565 0.81 KDM4E (0.51) KDM4EHPGDALOX15ARCYP1A2
SCHEMBL16303150 0.80 AR (0.52) KDM4EARSMN1; SMN2NPC1RAB9A
SCHEMBL20718423 0.79 AR (0.47) ALOX15ARSMN1; SMN2NPC1RAB9A
SCHEMBL20718208 0.79 AR (0.47) ALOX15ARSMN1; SMN2NPC1RAB9A
SCHEMBL20718419 0.79 AR (0.47) ALOX15ARSMN1; SMN2NPC1RAB9A
SCHEMBL2596875 0.79 AR (0.56) ARSMARCA2SMARCA4
SCHEMBL29383469 0.79 AR (0.56) ARSMARCA2SMARCA4

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-8129534-B2 Chemical compounds SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed