SCHEMBL22338362

SCHEMBL22338362

C=CNC(=O)Cc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GLS O94925 6/20 0.47
SIGMAR1 Q99720 1/20 0.45
IDO1 P14902 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTPRA P18433 1/20 0.42

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
SCHEMBL6796071 0.79 PDE5A (0.55) RAB9ANPC1CA1CA2CA5A
SCHEMBL29672808 0.77 CA1 (0.56) RAB9ANPC1CA1CA2CA5A
SCHEMBL1032275 0.77 SMN1; SMN2 (0.53) RAB9ANPC1CA1CA2CA5A
SCHEMBL29827327 0.77 RAB9A (0.50) RAB9ANPC1CA1CA2CA5A
SCHEMBL11715209 0.77 RAB9A (0.50) RAB9ANPC1CA1CA2CA5A
SCHEMBL24015947 0.77 SMN1; SMN2 (0.53) RAB9ANPC1CA1CA2CA5A
SCHEMBL966286 0.77 CA1 (0.56) RAB9ANPC1CA1CA2CA5A
Hydrochloric Acid SCHEMBL11689290 0.76 CA1 (0.55) RAB9ANPC1CA1CA2CA5A
Potassium Ion SCHEMBL11394989 0.76 CA1 (0.55) RAB9ANPC1CA1CA2CA5A
SCHEMBL12019256 0.75 POLB (0.55) RAB9ANPC1CA1CA2CA5A

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-2020163594-A1 IMMUNOPHILIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-13 WO disclosed