SCHEMBL9480941

SCHEMBL9480941

CC1=NCCc2c1[nH]c1ccccc21.CC1=NCCc2c1[nH]c1ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 1.00
KMT2A Q03164 10/20 1.00
KDM4E B2RXH2 9/20 1.00
MAPT P10636 6/20 1.00
HTR2C P28335 4/20 1.00
HTR7 P34969 4/20 1.00
HTR2A P28223 3/20 1.00
HTR6 P50406 3/20 1.00
POLB P06746 2/20 1.00
ADRB2 P07550 2/20 1.00
HTR1A P08908 1/20 1.00
HTR5A P47898 1/20 1.00
NISCH Q9Y2I1 1/20 1.00
CASP1 P29466 6/20 0.66
HSD17B10 Q99714 6/20 0.66
ALDH1A1 P00352 5/20 0.66
HPGD P15428 5/20 0.66
CASP7 P55210 5/20 0.66
CYP2D6 P10635 5/20 0.66
TDP1 Q9NUW8 4/20 0.66

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
SCHEMBL141724 1.00 MEN1 (1.00) MEN1KMT2AKDM4EMAPTHTR2C
SCHEMBL9717445 0.98 MEN1 (0.97) MEN1KMT2AKDM4EMAPTHTR2C
SCHEMBL31002948 0.98 MEN1 (0.97) MEN1KMT2AKDM4EMAPTHTR2C
Hydrochloric Acid SCHEMBL3764244 0.98 MEN1 (0.97) MEN1KMT2AKDM4EMAPTHTR2C
Hydrochloric Acid SCHEMBL6081896 0.97 MEN1 (0.94) MEN1KMT2AKDM4EMAPTHTR2C
Quinoline SCHEMBL10384804 0.85 KDM4E (0.72) MEN1KMT2AKDM4EMAPTHTR2C
Harman SCHEMBL9754744 0.84 KDM4E (0.71) MEN1KMT2AKDM4EMAPTHTR2C
Harman SCHEMBL9482944 0.84 KDM4E (0.71) MEN1KMT2AKDM4EMAPTHTR2C
SCHEMBL25137205 0.82 MEN1 (0.69) MEN1KMT2AKDM4EMAPTHTR2C
SCHEMBL14043272 0.82 KDM4E (0.70) MEN1KMT2AKDM4EMAPTHTR2C

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-5256533-A Preincubating sample with an alpha-2-inhibitor; comparing fluorescence in test to control tissues BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 1993-10-26 US disclosed