SCHEMBL28889115

SCHEMBL28889115

Fc1cc2cc[nH]c2c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.45
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ HPRT1 P00492 1/20 0.42
▸ TNF P01375 1/20 0.41
▸ RIPK1 Q13546 1/20 0.41
▸ PARP1 P09874 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ NPC1 O15118 1/20 0.36
▸ ACLY P53396 1/20 0.36
▸ AHR P35869 4/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ ITGB2 P05107 1/20 0.35
▸ ICAM1 P05362 1/20 0.35
▸ ITGAL P20701 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 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
SCHEMBL28621811 0.76 TRPM4 (0.52) MAOAMAOBPARP1IKBKBCHUK
SCHEMBL28889099 0.76 AHR (0.48) MAOAMAOBTNFRIPK1PARP1
SCHEMBL31426926 0.75 AXL (0.41) GPR84TNFRIPK1PARP1NPC1
SCHEMBL2535930 0.72 GPR84 (0.50) GPR84TNFRIPK1IKBKBCHUK
SCHEMBL19683290 0.72 PARP1 (0.44) MAOAMAOBPARP1AHRTRPA1
SCHEMBL28471406 0.72 KIF11 (0.42) MAOAMAOBPARP1IKBKBCHUK
SCHEMBL29532306 0.70 MAOA (0.42) MAOAMAOBPARP1AHRTRPA1
SCHEMBL2822133 0.70 MAOA (0.42) MAOAMAOBPARP1AHRTRPA1
SCHEMBL2537652 0.70 AHR (0.50) GPR84TNFRIPK1AHRSLC6A2
SCHEMBL305400 0.70 PARP1 (0.56) MAOAMAOBHPRT1TNFRIPK1

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-115368292-A Benzoindole compound and synthetic method thereof 陕西科技大学 2022-11-22 — — CN disclosed
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