SCHEMBL31359168

SCHEMBL31359168

COCOc1c(Br)cc(C=O)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ HTT P42858 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ FDPS P14324 1/20 0.44
▸ MAPT P10636 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TUBB1 Q9H4B7 3/20 0.43
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 1/20 0.43
▸ TUBA4A P68366 1/20 0.43
▸ TUBB4B P68371 1/20 0.43
▸ TUBB3 Q13509 1/20 0.43
▸ TUBB2A Q13885 1/20 0.43

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
SCHEMBL23202773 0.92 ALDH1A1 (0.56) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL2744767 0.89 ALDH1A1 (0.50) ALDH1A1MAPK1HTTHPGDFDPS
SCHEMBL13554474 0.89 ALDH1A1 (0.50) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL1515834 0.88 ALDH1A1 (0.65) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL9745831 0.87 ALDH1A1 (0.59) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL6943688 0.86 ALDH1A1 (0.64) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL14835707 0.86 ALDH1A1 (0.68) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL30875129 0.85 ALDH1A1 (0.48) ALDH1A1MAPK1HTTHPGDFDPS
SCHEMBL27944694 0.85 ALDH1A1 (0.48) ALDH1A1MAPK1HTTHPGDFDPS
SCHEMBL30122857 0.83 ALDH1A1 (0.63) ALDH1A1MAPK1MEN1KMT2AHTT

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-4733299-A1 SULFUR-CONTAINING FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shenzhen Braegen Pharmaceutical Co., Ltd. (CN) 2026-04-29 — — EP disclosed
WO-2024240186-A1 SULFUR-CONTAINING FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF 深圳博芮健制药有限公司 2024-11-28 — — WO disclosed
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