SCHEMBL19781532

SCHEMBL19781532

CC(C)Oc1ccc(Nc2cc(-c3ccc(OC(C)C)cc3)ccc2C=N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.46
MAPT P10636 2/20 0.40
GLA P06280 1/20 0.40
TP53 P04637 1/20 0.40
CSF1R P07333 1/20 0.40
TGFBR1 P36897 1/20 0.39
P2RX3 P56373 1/20 0.39
ERN1 O75460 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
SYK P43405 1/20 0.36
FDPS P14324 2/20 0.36
IDH1 O75874 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
TTBK1 Q5TCY1 1/20 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
SCHEMBL19781533 0.89 MAPT (0.45) ACP1MAPTGLATP53CSF1R
SCHEMBL19781139 0.86 ACP1 (0.41) ACP1MAPTTP53NPC1SYK
SCHEMBL19781791 0.85 ACP1 (0.40) ACP1MAPTGLATP53P2RX3
SCHEMBL19781774 0.78 ACP1 (0.45) ACP1MAPTGLATP53CSF1R
SCHEMBL2723103 0.71 GLA (0.57) MAPTGLATP53P2RX3NPC1
SCHEMBL4215577 0.69 AKR1C3 (0.52) MAPTCSF1RKMT2ASMN1; SMN2RXRA
SCHEMBL197284 0.69 ALDH1A3 (0.56) GLAERN1KMT2AACACBACACA
SCHEMBL24022572 0.67 LRRK2 (0.47) MAPTKMT2ASMN1; SMN2POLB
SCHEMBL14817450 0.67 ACACB (0.59) KMT2AACACBACACAALDH1A3POLB
SCHEMBL141942 0.67 P2RX3 (0.42) ACP1MAPTTP53P2RX3NPC1

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