SCHEMBL22197869

SCHEMBL22197869

Cc1ccc(NCCNCCCN)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 2/20 0.43
MAPT P10636 3/20 0.42
RAB9A P51151 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ACKR3 P25106 2/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
CA12 O43570 2/20 0.39
F13A1 P00488 2/20 0.39
CA2 P00918 2/20 0.39
CYP1A2 P05177 2/20 0.39
ALOX15 P16050 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39

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
SCHEMBL10737266 0.93 HRH3 (0.47) MAPTRAB9AHRH3KDM4EALDH1A1
SCHEMBL13103613 0.86 RAB9A (0.47) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL6645913 0.86 MAPT (0.53) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL12830407 0.79 MAPT (0.47) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL20613270 0.78 RAB9A (0.50) MAPTRAB9AKDM4EALDH1A1GAA
Norspermidine SCHEMBL713427 0.78 CYP1A2 (0.57) CASP2MAPTCA12F13A1CA2
SCHEMBL10604098 0.77 HCAR3 (0.59) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL10293613 0.77 HCAR3 (0.57) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL10483888 0.77 IL6 (0.41) NOS3NOS2
Bromide SCHEMBL10609035 0.76 HCAR3 (0.58) MAPTRAB9AKDM4EALDH1A1GAA

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
WO-2020142228-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-07-09 WO disclosed