SCHEMBL21095772

SCHEMBL21095772

CC(C)c1ccc(-c2nnc(I)s2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.64
KDM4E B2RXH2 7/20 0.64
NPC1 O15118 6/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
HPGD P15428 2/20 0.64
MAPT P10636 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PAX8 Q06710 1/20 0.46
NOD2 Q9HC29 1/20 0.46
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 1/20 0.40
TP53 P04637 4/20 0.40
NOTUM Q6P988 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 5/20 0.38
GAA P10253 4/20 0.38
MGAM O43451 3/20 0.38
SI P14410 3/20 0.38
MGAM2 Q2M2H8 3/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL13160177 0.79 RAB9A (0.66) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL23328879 0.79 RAB9A (0.66) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL10022384 0.78 KDM4E (1.00) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL16847023 0.74 ALDH1A1 (0.52) RAB9AKDM4ENPC1SMN1; SMN2NPSR1
SCHEMBL21095773 0.74 RAB9A (0.58) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL13020134 0.74 S1PR1 (0.71) S1PR1S1PR3
SCHEMBL1505214 0.73 NR1H4 (0.62) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL17184775 0.70 KDM4E (0.46) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL1505311 0.69 RAB9A (0.53) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL12925903 0.68 RAB9A (0.51) RAB9AKDM4ENPC1SMN1; SMN2HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3724188-B1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2023-06-07 EP disclosed
WO-2019118528-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2019-06-20 WO disclosed