SCHEMBL2016383

SCHEMBL2016383

CCn1c(CN)nc2ccc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PKM P14618 3/20 0.39
HTT P42858 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
ACSS2 Q9NR19 1/20 0.36
ALPG P10696 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
NPM1 P06748 1/20 0.36
ALK Q9UM73 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL2016798 0.88 KDM4E (0.44) PPARGMEN1KMT2APKMHTT
SCHEMBL25421051 0.84 NPM1 (0.36) PPARGMEN1KMT2AMAPTNPM1
SCHEMBL2013679 0.84 PPARG (0.45) PPARGMEN1KMT2APKMHTT
SCHEMBL22031586 0.82 GLA (0.49) PPARGMEN1KMT2APKM
SCHEMBL24329871 0.81 MAPT (0.45) PPARGMEN1KMT2AHTTMAPT
SCHEMBL16406373 0.79 ACSS2 (0.53) MEN1KMT2APKMCYP1A2CYP2D6
SCHEMBL21803208 0.79 KDM4E (0.51) KMT2AHTTCYP1A2MAPTSMN1; SMN2
SCHEMBL28095051 0.78 CYP11B1 (0.41) PPARGMEN1KMT2AHTTCYP1A2
SCHEMBL8292031 0.77 CYP1A2 (0.64) MEN1KMT2APKMHTTCYP1A2
SCHEMBL20209144 0.77 ACSS2 (0.57) MEN1KMT2AHTTMAPTSMN1; SMN2

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-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed