SCHEMBL29919922

SCHEMBL29919922

COC(=O)Cc1ccnc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
HSP90AB1 P08238 1/20 0.47
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
SLC7A5 Q01650 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 4/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SYK P43405 1/20 0.41
PKM P14618 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL16797558 1.00 ALDH1A1 (0.47) ALDH1A1GAAGFERHSP90AB1CYP4F2
SCHEMBL2789335 0.84 CYP19A1 (0.43) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL30163441 0.84 CYP19A1 (0.43) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL30184846 0.83 LOX (0.57) ALDH1A1GAAGFERHSP90AB1CYP4F2
SCHEMBL2017499 0.83 LOX (0.57) ALDH1A1GAAGFERHSP90AB1CYP4F2
SCHEMBL16751927 0.83 MTNR1A (0.41) ARGABRPGABRDGABRA1GABRB1
SCHEMBL2022675 0.81 ALDH1A1 (0.49) ALDH1A1GAAGFERHSP90AB1CYP4F2
SCHEMBL1874529 0.81 GABRP (0.43) ALDH1A1SMN1; SMN2ARKDM4EGABRP
SCHEMBL8268650 0.80 RECQL (0.53) ALDH1A1GAAGFERHSP90AB1CYP4F2
SCHEMBL20589052 0.80 GABRP (0.65) ALDH1A1GAAGFERHSP90AB1CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4532496-A1 NOVEL PAR-2 INHIBITORS Domain Therapeutics (FR) 2025-04-09 EP disclosed
EP-4323358-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER Hotspot Therapeutics, Inc. (US) 2024-02-21 EP disclosed
WO-2023233033-A1 NOVEL PAR-2 INHIBITORS DOMAIN THERAPEUTICS (FR) 2023-12-07 WO disclosed
WO-2022221704-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER HOTSPOT THERAPEUTICS, INC. (US) 2022-10-20 WO disclosed