SCHEMBL24633879

SCHEMBL24633879

C=C(CCC)c1ccc(N)c(N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
TDP1 Q9NUW8 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
CYP3A4 P08684 3/20 0.35
THRB P10828 2/20 0.35
ALOX15 P16050 2/20 0.35
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL23963002 0.84 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DTDP1
SCHEMBL14330440 0.78 CYP19A1 (0.45) PDE4DCYP3A4NPC1RAB9AMAPT
SCHEMBL9206685 0.77 HSD17B3 (0.55) TDP1SMN1; SMN2THRBNPC1USP2
SCHEMBL21758843 0.77 MEN1 (0.30) TDP1MEN1KMT2A
SCHEMBL21415504 0.76 F2 (0.44) TDP1SMN1; SMN2CYP3A4ALOX15TP53
SCHEMBL22454375 0.74 CA12 (0.46) MAPTKDM4EGAAHSD17B3L3MBTL1
SCHEMBL20619804 0.73 MAOA (0.44) ALDH1A1HPGDHTTTSHR
SCHEMBL28930609 0.73 HSD17B3 (0.33) SMN1; SMN2HPGDHSD17B3ESR1ESR2
SCHEMBL20157094 0.73 HSD17B3 (0.33) PDE4DCYP3A4THRBHSD17B10MAPT
SCHEMBL11694880 0.73 TDP1 (0.42) PDE4APDE4BPDE4CPDE4DTDP1

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-2022240830-A1 C-LINKED INHIBITORS OF ENL/AF9 YEATS BRIDGE MEDICINES (US) 2022-11-17 WO disclosed