SCHEMBL9699476

SCHEMBL9699476

CCCC(C)c1ncc(C(=O)OCC)c(NCc2ccc(-c3ccccc3)c(-c3nnn[nH]3)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 13/20 0.49
▸ AGTR2 P50052 13/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PPP1CA P62136 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.38
▸ CYP1A2 P05177 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
SCHEMBL9655137 0.92 AGTR1 (0.57) AGTR1AGTR2NPSR1MAPTMEN1
SCHEMBL9592999 0.79 AGTR1 (0.74) AGTR1AGTR2NPSR1MAPTMEN1
SCHEMBL9653050 0.78 AGTR1 (0.65) AGTR1AGTR2NPSR1MAPTMEN1
SCHEMBL9592779 0.78 AGTR1 (0.75) AGTR1AGTR2NPSR1MAPTMEN1
SCHEMBL9590776 0.77 AGTR1 (0.75) AGTR1AGTR2NPSR1MAPTMEN1
SCHEMBL9592385 0.76 AGTR1 (0.76) AGTR1AGTR2NPSR1MAPTMEN1
SCHEMBL9653137 0.76 AGTR1 (0.58) AGTR1AGTR2NPSR1MAPTMEN1
SCHEMBL9590611 0.76 AGTR1 (0.76) AGTR1AGTR2NPSR1MAPTMEN1
SCHEMBL9700619 0.75 AGTR1 (0.44) AGTR1AGTR2MAPTALDH1A1LMNA
SCHEMBL9654340 0.75 AGTR1 (0.57) AGTR1AGTR2NPSR1MAPTMEN1

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
WO-1992014468-A1 PSORIASIS TREATMENT ABBOTT LABORATORIES (US) 1992-09-03 — — WO disclosed
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