SCHEMBL30642417

SCHEMBL30642417

O=P(c1ccccc1)(c1cccc(Br)c1)c1cccc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CFTR P13569 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38

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
SCHEMBL13454395 1.00 ALDH1A1 (0.42) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL13074801 1.00 ALDH1A1 (0.42) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL31371307 1.00 ALDH1A1 (0.42) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL28909835 0.93 ALDH1A1 (0.43) ALDH1A1HPGDHTTNPC1RAB9A
SCHEMBL31686828 0.88 NPC1 (0.47) ALDH1A1HPGDHTTNPC1RAB9A
SCHEMBL19461030 0.88 NPC1 (0.47) ALDH1A1HPGDHTTNPC1RAB9A
SCHEMBL20345791 0.85 KMT2A (0.43) ALDH1A1HPGDHTTTDP1NPC1
SCHEMBL19797430 0.84 KMT2A (0.44) ALDH1A1HPGDHTTTDP1LMNA
SCHEMBL19461072 0.84 NPC1 (0.47) ALDH1A1HPGDHTTLMNANPC1
SCHEMBL14020788 0.84 LMNA (0.48) ALDH1A1HTTTDP1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116870237-A Photoinitiated tissue adhesives and methods of use thereof 海泽临床成果转化医学研究院(无锡)有限公司 2023-10-13 — — CN disclosed
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