SCHEMBL28544300

SCHEMBL28544300

O=P(c1ccccc1)(c1ccccc1)c1cncc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ EGFR P00533 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDR P35968 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35

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
SCHEMBL11991109 0.86 LMNA (0.42) HTTALDH1A1MEN1KMT2ALMNA
SCHEMBL28506438 0.79 KCNA5 (0.46) SMN1; SMN2NPC1RAB9ALMNAGAA
SCHEMBL19797430 0.78 KMT2A (0.44) HTTALOX15ALDH1A1POLBMEN1
SCHEMBL30642417 0.76 ALDH1A1 (0.42) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL31371307 0.76 ALDH1A1 (0.42) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13454395 0.76 ALDH1A1 (0.42) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13074801 0.76 ALDH1A1 (0.42) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL28101011 0.76 TDP1 (0.55) HTTALOX15SMN1; SMN2EGFRALDH1A1
SCHEMBL19797417 0.75 KCNA5 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL6568180 0.73 ALDH1A1 (0.52) HTTALDH1A1MEN1KMT2ANPC1

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-109053690-B Bipolar electroluminescent material containing carbazole group and application thereof 大连理工大学 2021-04-16 — — CN claimed
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