SCHEMBL21135846

SCHEMBL21135846

CC/C=N/Nc1nc(N2CCOCC2)c2cc(C(=O)N3CCCCC3)sc2n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 6/20 0.43
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
RAB9A P51151 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RY12 Q9H244 7/20 0.38
MTOR P42345 2/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL21135837 0.95 PIKFYVE (0.45) PIKFYVEALDH1A1GAAHPGDHSD17B10
SCHEMBL21135832 0.91 PIKFYVE (0.42) PIKFYVEALDH1A1GAAHPGDHSD17B10
SCHEMBL23272118 0.83 PIKFYVE (0.66) PIKFYVEGAAHPGDKDM4EMTOR
SCHEMBL30312416 0.83 PIKFYVE (0.66) PIKFYVEGAAHPGDKDM4EMTOR
SCHEMBL23272103 0.78 PIKFYVE (0.69) PIKFYVEALDH1A1GAAHPGDHSD17B10
SCHEMBL30312514 0.78 PIKFYVE (0.69) PIKFYVEALDH1A1GAAHPGDHSD17B10
SCHEMBL21135841 0.76 PIKFYVE (0.52) PIKFYVEALDH1A1HPGDTSHRMTOR
SCHEMBL21135833 0.75 PIKFYVE (0.47) PIKFYVEALDH1A1NPC1RAB9A
SCHEMBL23272123 0.75 PIKFYVE (0.65) PIKFYVEGAAHPGDKDM4EMTOR
SCHEMBL30312348 0.75 PIKFYVE (0.65) PIKFYVEGAAHPGDKDM4EMTOR

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-2019113523-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF BAJJI ASHOK (US) 2019-06-13 WO disclosed