SCHEMBL29859163

SCHEMBL29859163

Brc1ccc(-c2noc(-c3ccccc3Br)n2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 10/20 0.81
▸ RAB9A P51151 9/20 0.81
▸ TP53 P04637 8/20 0.81
▸ NFKB1 P19838 7/20 0.81
▸ NFKB2 Q00653 7/20 0.81
▸ RELA Q04206 7/20 0.81
▸ L3MBTL1 Q9Y468 5/20 0.81
▸ MAPT P10636 5/20 0.81
▸ MAPK1 P28482 4/20 0.81
▸ NPC1 O15118 7/20 0.77
▸ NR1H4 Q96RI1 2/20 0.70
▸ HSD17B10 Q99714 2/20 0.67
▸ RXFP1 Q9HBX9 1/20 0.67
▸ GPR55 Q9Y2T6 1/20 0.57
▸ HPGD P15428 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ TSHR P16473 3/20 0.57
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ PKM P14618 1/20 0.53

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
SCHEMBL3430034 1.00 SMN1; SMN2 (0.81) SMN1; SMN2RAB9ATP53NFKB1NFKB2
SCHEMBL28653242 0.90 SMN1; SMN2 (1.00) SMN1; SMN2RAB9ATP53NFKB1NFKB2
SCHEMBL26095666 0.83 MAPT (0.72) SMN1; SMN2RAB9ATP53NFKB1NFKB2
SCHEMBL2810636 0.82 NR1H4 (1.00) SMN1; SMN2RAB9ATP53NFKB1NFKB2
SCHEMBL29449760 0.82 NR1H4 (0.85) SMN1; SMN2RAB9ATP53NFKB1NFKB2
SCHEMBL11714014 0.79 MAPT (0.68) SMN1; SMN2RAB9ATP53NFKB1NFKB2
SCHEMBL28925303 0.77 SMN1; SMN2 (0.77) SMN1; SMN2RAB9ATP53NFKB1NFKB2
SCHEMBL25863479 0.76 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ATP53NFKB1NFKB2
SCHEMBL23524022 0.74 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ATP53NFKB1NFKB2
SCHEMBL25856751 0.74 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ATP53NFKB1NFKB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117377478-A Methods and compositions for regenerating hair cells in the inner ear of an adult mammal 麻省眼耳科医院 2024-01-09 — — CN disclosed
EP-4288066-A1 METHODS AND COMPOSITIONS FOR REGENERATING HAIR CELLS IN THE INNER EAR OF ADULT MAMMALS Massachusetts Eye and Ear Infirmary (US) 2023-12-13 — — EP disclosed
WO-2022169881-A1 METHODS AND COMPOSITIONS FOR REGENERATING HAIR CELLS IN THE INNER EAR OF ADULT MAMMALS MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2022-08-11 — — WO disclosed
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