SCHEMBL29910225

SCHEMBL29910225

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(C(=O)Nc4ccc(-c5cc(Br)c6c(c5)-c5c(c7c(c8c(F)cc(F)cc58)OC(c5ccccc5)(c5ccc(N8CCCCC8)cc5)C=C7)C6(C)C)cc4)cc3)cc2)CC1

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MCHR1 Q99705 2/20 0.31
NPC1 O15118 2/20 0.31
TP53 P04637 2/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2A P28223 1/20 0.30
DRD3 P35462 1/20 0.30
PKM P14618 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL12573751 1.00 RAB9A (0.31) RAB9ASMN1; SMN2MCHR1NPC1TP53
SCHEMBL1332863 1.00 RAB9A (0.31) RAB9ASMN1; SMN2MCHR1NPC1TP53
SCHEMBL29910196 0.93 HTR2A (0.32) SMN1; SMN2ALOX15MAPK1MAPTMEN1
SCHEMBL12573734 0.93 HTR2A (0.32) SMN1; SMN2ALOX15MAPK1MAPTMEN1
SCHEMBL1334125 0.93 HTR2A (0.32) SMN1; SMN2ALOX15MAPK1MAPTMEN1
SCHEMBL12573705 0.92 RAB9A (0.35) RAB9ASMN1; SMN2MCHR1NPC1TP53
SCHEMBL1333738 0.92 RAB9A (0.35) RAB9ASMN1; SMN2MCHR1NPC1TP53
SCHEMBL29910323 0.92 RAB9A (0.35) RAB9ASMN1; SMN2MCHR1NPC1TP53
SCHEMBL1332401 0.91
SCHEMBL29910192 0.91

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-2718755-B1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2024-05-29 EP disclosed
EP-2895896-B1 A PHOTOCHROMIC ARTICLE HAVING AT LEAST PARTIALLY CROSSED POLARIZED PHOTOCHROMIC-DICHROIC AND FIXED-POLARIZED LAYERS TRANSITIONS OPTICAL INC (US) 2022-11-02 EP disclosed