SCHEMBL19781130

SCHEMBL19781130

Cc1cc(N)c(Nc2ccc(OC(C)C)cc2)cc1-c1ccc(OC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.42
ACACB O00763 3/20 0.41
ACACA Q13085 3/20 0.41
MAP4K4 O95819 1/20 0.40
GLA P06280 1/20 0.39
P2RX3 P56373 1/20 0.38
MAPT P10636 6/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 2/20 0.37
TTBK1 Q5TCY1 1/20 0.37
TTBK2 Q6IQ55 1/20 0.37
CSF1R P07333 1/20 0.37
BTK Q06187 1/20 0.36
PRMT3 O60678 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT1 Q99873 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
KMT2A Q03164 3/20 0.35

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
SCHEMBL22072403 0.84 ACP1 (0.46) ACP1MAP4K4GLAP2RX3MAPT
SCHEMBL19781252 0.83 GLA (0.41) ACP1GLAP2RX3MAPTALDH1A1
SCHEMBL22071863 0.83 ACP1 (0.42) ACP1ACACBACACAMAP4K4GLA
SCHEMBL22072388 0.81 ACP1 (0.40) ACP1ACACBACACAMAP4K4GLA
SCHEMBL22072402 0.80 KDM4E (0.44) ACP1ACACBACACAGLAMAPT
SCHEMBL19781774 0.80 ACP1 (0.45) ACP1ACACBACACAMAP4K4GLA
SCHEMBL22072401 0.77 MAPT (0.46) ACP1GLAP2RX3MAPTALDH1A1
SCHEMBL22032880 0.75 ACP1 (0.41) ACP1GLAP2RX3MAPTALDH1A1
SCHEMBL15213071 0.73 P2RX3 (0.43) ACP1GLAP2RX3MAPTALDH1A1
SCHEMBL19781521 0.73 GLA (0.42) ACP1GLAP2RX3MAPTALDH1A1

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-2018013430-A2 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ARENAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2018-01-18 WO disclosed