SCHEMBL19781791

SCHEMBL19781791

CC(C)Oc1ccc(Nc2cc(Br)ccc2C=N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.40
MAPT P10636 6/20 0.39
TP53 P04637 1/20 0.39
SLC2A1 P11166 1/20 0.39
GLA P06280 1/20 0.39
IDH1 O75874 2/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
P2RX3 P56373 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
SYK P43405 1/20 0.35
TTBK1 Q5TCY1 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
SCHEMBL19781532 0.85 ACP1 (0.46) ACP1MAPTTP53GLAIDH1
SCHEMBL19781521 0.79 GLA (0.42) ACP1MAPTTP53SLC2A1GLA
SCHEMBL20036833 0.77 MAPT (0.41) MAPTGLALMNASMN1; SMN2ALDH1A1
SCHEMBL15213071 0.76 P2RX3 (0.43) ACP1MAPTTP53SLC2A1GLA
SCHEMBL19781533 0.76 MAPT (0.45) ACP1MAPTTP53GLALMNA
SCHEMBL5943059 0.76 GLA (0.49) MAPTTP53GLALMNASMN1; SMN2
SCHEMBL19781139 0.75 ACP1 (0.41) ACP1MAPTTP53NPC1SYK
SCHEMBL19781255 0.74 ALDH3A1 (0.46) MAPTLMNAALDH1A1POLBHTT
SCHEMBL15213069 0.71 MAPT (0.54) MAPTLMNASMN1; SMN2ALDH1A1POLB
SCHEMBL2723103 0.70 GLA (0.57) MAPTTP53GLALMNASMN1; 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 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