SCHEMBL18948475

SCHEMBL18948475

CCCCCCCC(CCCCCC)c1ccnc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.41
LOX P28300 1/20 0.40
NR1I2 O75469 1/20 0.38
RXRA P19793 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
AR P10275 1/20 0.33
NOTUM Q6P988 1/20 0.33
SLC2A1 P11166 1/20 0.33
IDO1 P14902 1/20 0.33
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL19304419 1.00 LOXL2 (0.41) LOXL2LOXNR1I2RXRAGRIN1
SCHEMBL22298873 0.97 LOXL2 (0.39) LOXL2LOXNR1I2RXRAGRIN1
SCHEMBL19003529 0.88 LOXL2 (0.45) LOXL2LOXRXRAGRIN1GRIN2B
SCHEMBL20793984 0.87 LOXL2 (0.40) LOXL2LOXNR1I2RXRAGRIN1
SCHEMBL18879275 0.87 LOXL2 (0.40) LOXL2LOXNR1I2RXRAGRIN1
SCHEMBL19726966 0.82 LOXL2 (0.42) LOXL2LOXRXRAGRIN1GRIN2B
SCHEMBL22298880 0.81 LOXL2 (0.47) LOXL2LOXRXRAGRIN1GRIN2B
SCHEMBL26774132 0.81 LOXL2 (0.41) LOXL2LOXRXRAGRIN1GRIN2B
SCHEMBL22260475 0.80 NR1I2 (0.37) LOXL2NR1I2SLC2A1KDM4EGPR84
SCHEMBL174988 0.80 NR1I2 (0.39) NR1I2SLC2A1KDM4EGPR84

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-9676780-B2 Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-06-13 US disclosed