SCHEMBL18565488

SCHEMBL18565488

Bc1ccc2cc(C)c(CC)nc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.35
TERT O14746 1/20 0.34
KDM4E B2RXH2 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 2/20 0.31
LMNA P02545 1/20 0.31
CASP6 P55212 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RAD52 P43351 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL18565295 0.79 BACE1 (0.43) PSMB5TERTKDM4EKMT2AMEN1
SCHEMBL7068280 0.76 TDP1 (0.55) PSMB5KDM4ECYP1A2ALDH1A1HSD17B10
SCHEMBL27561148 0.69 MAPT (0.34) PSMB5TERTKDM4EKMT2AMEN1
SCHEMBL15983742 0.68 ATM (0.42) KDM4EKMT2AMEN1ALDH1A1RAB9A
SCHEMBL10390681 0.68 MAPT (0.35) PSMB5KDM4EKMT2AMEN1CYP1A2
SCHEMBL27314051 0.68 KDM4E (0.55) PSMB5TERTKDM4EKMT2AMEN1
SCHEMBL12597248 0.67 CYP1A2 (0.63) KDM4EKMT2AMEN1CYP1A2NPC1
SCHEMBL14037347 0.67 TERT (0.36) PSMB5TERTKDM4EKMT2AMEN1
SCHEMBL16641782 0.67 ALDH1A1 (0.38) KDM4EKMT2AMEN1CYP1A2ALDH1A1
SCHEMBL28247553 0.67 PSMB5 (0.41) PSMB5TERTKMT2AMEN1CYP1A2

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
EP-2861604-B1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2017-03-01 EP disclosed