SCHEMBL26512652

SCHEMBL26512652

COc1ccc(C2(c3ccc(-c4nc(F)nc(F)n4)cc3)C=Cc3c4c(c5cc(OC)c(OC)cc5c3O2)-c2ccccc2C4(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ABCB1 P08183 1/20 0.30
ABCC1 P33527 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
CTSD P07339 1/20 0.30
BACE1 P56817 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
SCHEMBL26512683 0.94 KDM4E (0.31) SMN1; SMN2NPC1RAB9AABCG2
SCHEMBL26512625 0.93 MAPT (0.34) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL26513020 0.92 MAPT (0.34) TP53MAPTSMN1; SMN2NPC1NFKB1
SCHEMBL26512649 0.91 TP53 (0.32) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL26512685 0.91 GPR84 (0.33) TP53MAPTSMN1; SMN2ABCB1ABCC1
SCHEMBL26512653 0.91 CES2 (0.30)
SCHEMBL26514699 0.91 ENPP1 (0.32) TP53MAPTSMN1; SMN2
SCHEMBL26512629 0.91 BRD4 (0.39) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL26512634 0.91 BRD4 (0.39) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL26512914 0.90 TP53 (0.31) TP53MAPTSMN1; SMN2NPC1NFKB1

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
US-20230323197-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-10-12 US disclosed
US-20230323197-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-10-12 US disclosed