SCHEMBL31573826

SCHEMBL31573826

N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 8/20 0.47
▸ PLAUR Q03405 1/20 0.46
▸ SLC11A2 P49281 2/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ METAP1 P53582 1/20 0.39
▸ AVPR1A P37288 1/20 0.39
▸ CDC7 O00311 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
SCHEMBL16548671 0.84 SLC11A2 (0.39) GRM5PLAURSLC11A2HRH1HTR6
SCHEMBL16549007 0.82 GRM5 (0.42) GRM5PLAURSLC11A2
SCHEMBL16549079 0.82 GRM5 (0.39) GRM5PLAURSLC11A2DDB1CRBN
SCHEMBL17424707 0.80 PTGER4 (0.44) KDM4EALDH1A1GLAGAAPTGER4
SCHEMBL17424700 0.80 PTGER4 (0.44) KDM4EALDH1A1GLAGAAPTGER4
SCHEMBL17424701 0.80 PTGER4 (0.44) KDM4EALDH1A1GLAGAAPTGER4
SCHEMBL17424687 0.79 DDB1 (0.44) GRM5HRH1HTR6DDB1CRBN
SCHEMBL17704012 0.78 GRM5 (0.36) GRM5PLAURSLC11A2HRH1HTR6
SCHEMBL22705228 0.77 PTGER4 (0.44) DDB1CRBNKDM4EALDH1A1GLA
SCHEMBL22705193 0.77 KDM4E (0.40) KDM4EALDH1A1GLAGAACLK4

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-119985420-A High-sensitivity high-flux high-selectivity biochemical sensor and sensing method thereof 南京中医药大学 2025-05-13 — — CN disclosed
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