SCHEMBL19781774

SCHEMBL19781774

CC(C)Oc1ccc(Nc2cc(-c3ccc(OC(C)C)cc3)ccc2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.45
GLA P06280 1/20 0.43
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
MMP14 P50281 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CSF1R P07333 1/20 0.42
P2RX3 P56373 1/20 0.41
MAP4K4 O95819 1/20 0.40
TTBK1 Q5TCY1 1/20 0.40
TTBK2 Q6IQ55 1/20 0.40
HDAC2 Q92769 3/20 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
SCHEMBL22072401 0.85 MAPT (0.46) ACP1GLAMAPTRAB9AKMT2A
SCHEMBL19781521 0.84 GLA (0.42) ACP1GLAMAPTRAB9AKMT2A
SCHEMBL19781130 0.80 ACP1 (0.42) ACP1GLAMAPTRAB9AKMT2A
SCHEMBL19781532 0.78 ACP1 (0.46) ACP1GLAMAPTRAB9AKMT2A
SCHEMBL22072403 0.78 ACP1 (0.46) ACP1GLAMAPTRAB9AKMT2A
SCHEMBL22071863 0.77 ACP1 (0.42) ACP1GLAMAPTRAB9AKMT2A
SCHEMBL19781252 0.77 GLA (0.41) ACP1GLAMAPTRAB9AKMT2A
SCHEMBL15213071 0.75 P2RX3 (0.43) ACP1GLAMAPTRAB9AKMT2A
SCHEMBL22033693 0.74 P2RX3 (0.43) ACP1GLAMAPTRAB9AKMT2A
SCHEMBL22032818 0.74 SYK (0.43) ACP1GLAMAPTRAB9AKMT2A

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