SCHEMBL27307690

SCHEMBL27307690

Cc1ccc(-c2ccc(-c3nc4c(C)ccc(I)c4s3)s2)s1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32

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
SCHEMBL21474671 0.84 RARA (0.42) NPC1ALDH1A1MAPTGFERHSD17B10
SCHEMBL27307687 0.73 ADORA3 (0.46) NPC1ALDH1A1HSD17B10RARARARB
SCHEMBL27307793 0.71 ADORA3 (0.36) NPC1ALDH1A1MAPTGFERHSD17B10
SCHEMBL27307694 0.71 SMN1; SMN2 (0.35) NPC1ALDH1A1MAPT
SCHEMBL21474667 0.70 AHR (0.40) NPC1ALDH1A1MAPTHSD17B10RARA
SCHEMBL10329666 0.69 NPC1 (0.42) NPC1ALDH1A1MAPTGFERHSD17B10
SCHEMBL10329684 0.69 NPC1 (0.42) NPC1ALDH1A1MAPTGFERHSD17B10
SCHEMBL10329671 0.69 NPC1 (0.42) NPC1ALDH1A1MAPTGFERHSD17B10
SCHEMBL27307545 0.69 MAPT (0.49) NPC1ALDH1A1MAPT
SCHEMBL10260892 0.69 NPC1 (0.32) NPC1ALDH1A1MAPTGFERHSD17B10

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-2023199630-A1 POLYMERIZABLE COMPOUND AND MIXED COMPOSITION 住友化学株式会社 2023-10-19 WO disclosed