SCHEMBL19939702

SCHEMBL19939702

N=C(Nc1ccc(OCCCCCCCn2cncn2)cc1)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TP53 P04637 3/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 1/20 0.45
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL19939686 1.00 MAPT (0.51) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL19939685 1.00 MAPT (0.51) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL19937940 1.00 MAPT (0.51) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL19937945 0.92 MAPT (0.48) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL19937943 0.92 MAPT (0.48) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL19937944 0.92 MAPT (0.48) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL19937946 0.92 MAPT (0.48) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL19937942 0.91 MAPT (0.49) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL19937919 0.88 MAPT (0.53) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL26440959 0.86 MAPT (0.57) MAPTLMNAMEN1KMT2AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018045104-A1 ANTI-PARASITIC COMPOUNDS OHIO STATE INNOVATION FOUNDATION (US) 2018-03-08 WO disclosed
WO-2018045106-A1 ANTI-FUNGAL TREATMENT OHIO STATE INNOVATION FOUNDATION (US) 2018-03-08 WO disclosed