SCHEMBL10668591

SCHEMBL10668591

Clc1nnn2c1ncc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
KMT2A Q03164 6/20 0.44
MAPT P10636 5/20 0.44
MAPK1 P28482 4/20 0.44
HTT P42858 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MEN1 O00255 4/20 0.39
XBP1 P17861 1/20 0.38
POLB P06746 4/20 0.35
RAB9A P51151 4/20 0.35
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL14349689 0.79 KDM4E (0.40) KDM4EKMT2AMAPTMAPK1HTT
SCHEMBL10666827 0.79 KDM4E (0.40) KDM4EKMT2AMAPTMAPK1HTT
SCHEMBL8019079 0.71 KDM4E (0.51) KDM4EMAPTNPSR1ALDH1A1TP53
SCHEMBL5656535 0.68 KMT2A (0.44) KDM4EKMT2AMAPTMAPK1HTT
SCHEMBL8030043 0.68 HTR6 (0.50) KDM4EKMT2AMAPTNPSR1ALDH1A1
SCHEMBL6068564 0.66 ADORA3 (0.33) KDM4EKMT2AMAPK1SMN1; SMN2MEN1
SCHEMBL2683475 0.66 KDM4E (0.45) KDM4EKMT2AMAPTMAPK1ALDH1A1
SCHEMBL7623370 0.62 CUL4A (0.67) KDM4EKMT2AMAPTMAPK1HTT
SCHEMBL29792823 0.62 DYRK1A (0.39) RECQL
SCHEMBL5909486 0.62 ALDH1A1 (0.44) KDM4EKMT2AMAPTMAPK1ALDH1A1

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
US-4788186-A ANXIOLYTIC AGENTS GRUPPO LEPETIT S.P.A. (IT) 1988-11-29 US disclosed
EP-0085840-B1 NEW 6-SUBSTITUTED-S-TRIAZOLO(3,4-A)PHTHALAZINE DERIVATIVES GRUPPO LEPETIT S.P.A. (IT) 1986-10-01 EP disclosed