SCHEMBL31435523

SCHEMBL31435523

CCCCc1cc2ccccc2n1C(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OXER1 Q8TDS5 11/20 0.67
▸ AGTR1 P30556 2/20 0.57
▸ AGTR2 P50052 1/20 0.48
▸ NOD2 Q9HC29 1/20 0.47
▸ NOD1 Q9Y239 1/20 0.47
▸ NR1H2 P55055 2/20 0.46
▸ CNR2 P34972 2/20 0.46
▸ NR1H3 Q13133 1/20 0.46
▸ CNR1 P21554 1/20 0.43
▸ TSHR P16473 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL10105355 0.86 OXER1 (0.61) OXER1AGTR1AGTR2
SCHEMBL286725 0.80 OXER1 (1.00) OXER1AGTR1AGTR2
SCHEMBL4258700 0.80 OXER1 (0.68) OXER1AGTR1AGTR2
SCHEMBL7551690 0.78 OXER1 (0.59) OXER1AGTR1AGTR2NOD2NOD1
SCHEMBL28006693 0.77 OXER1 (0.59) OXER1NR1H2NR1H3
SCHEMBL286961 0.77 OXER1 (0.91) OXER1
SCHEMBL10105386 0.77 OXER1 (0.91) OXER1
SCHEMBL13064049 0.77 OXER1 (0.86) OXER1
SCHEMBL286754 0.76 OXER1 (1.00) OXER1
SCHEMBL3704023 0.76 OXER1 (0.88) OXER1

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-119661415-A Indole derivative obtained by converting quinoline nitrogen-oxide and synthetic method thereof 上海交通大学 2025-03-21 — — CN disclosed
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