SCHEMBL29705247

SCHEMBL29705247

O=CNCc1cc(Br)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH7 P40394 1/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4A O75164 2/20 0.33
KDM4B O94953 2/20 0.33
KDM5C P41229 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CCR5 P51681 1/20 0.33

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
SCHEMBL1050596 1.00 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2ADH1BADH1C
SCHEMBL21355793 0.82 ADH1B (0.37) KDM4EALDH1A1ADH1BADH1CADH1A
SCHEMBL25299576 0.79 KDM1A (0.44) KDM4EALDH1A1ADH1BADH1CADH1A
SCHEMBL17338855 0.77 ADH1B (0.34) KDM4EALDH1A1SMN1; SMN2ADH1BADH1C
SCHEMBL17847863 0.76 KCNH2 (0.40) KDM4EALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL14855446 0.76 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL21355854 0.75 NOS2 (0.53) CYP2C9CCR5
SCHEMBL3475219 0.74 SMN1; SMN2 (0.49) KDM4EALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL10647756 0.73 ADH1B (0.37) KDM4EADH1BADH1CADH1AADH7
SCHEMBL29837887 0.73 ADH1B (0.38) KDM4EALDH1A1SMN1; SMN2ADH1BADH1C

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-2022159745-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF HIBERCELL, INC. (US) 2022-07-28 WO disclosed