SCHEMBL11448618

SCHEMBL11448618

CCCCC(CC)CNc1nc(C)cc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ TSHR P16473 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.38
▸ PFKFB3 Q16875 1/20 0.38
▸ DNM2 P50570 7/20 0.38
▸ NPY5R Q15761 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ HRH4 Q9H3N8 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 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
SCHEMBL7776211 0.80 ALDH1A1 (0.57) ALDH1A1TSHRCYP3A4PFKFB3NPY5R
SCHEMBL7774846 0.79 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4TLR8PFKFB3
SCHEMBL7776357 0.79 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4TLR8PFKFB3
SCHEMBL8051374 0.77 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4PFKFB3NPY5R
SCHEMBL13309894 0.74 PFKFB3 (0.55) ALDH1A1TSHRCYP3A4TLR8PFKFB3
SCHEMBL11403184 0.74 LMNA (0.47) ALDH1A1LMNAMAPK1SMN1; SMN2KDM4E
SCHEMBL8050048 0.74 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4PFKFB3DNM2
SCHEMBL6926880 0.73 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4PFKFB3NPY5R
SCHEMBL7174778 0.73 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4PFKFB3NPY5R
SCHEMBL27922409 0.73 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4PFKFB3NPY5R

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
EP-0032625-A2 Water-soluble monoazo dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-07-29 — — EP disclosed
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