SCHEMBL11384772

SCHEMBL11384772

CCCOc1cccnc1-c1nc2ccc(C(=O)O)cc2c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 10/20 0.50
▸ CBFB Q13951 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ GUSB P08236 2/20 0.41
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL11380779 0.95 PDE5A (0.45) PDE5ACBFBNPC1TP53POLB
SCHEMBL11375759 0.92 GUSB (0.50) PDE5ACBFBNPC1TP53POLB
SCHEMBL11387133 0.87 CBFB (0.53) CBFBPOLBGUSBPDE4APDE4B
SCHEMBL11383679 0.85 PDE5A (0.66) PDE5AMAPTGUSBPDE4APDE4B
SCHEMBL11377954 0.84 CBFB (0.41) PDE5ACBFBNPC1TP53POLB
SCHEMBL11380722 0.80 PDE5A (0.59) PDE5ANPC1TP53POLBMAPT
SCHEMBL11381930 0.80 ALDH1A1 (0.55) CBFBNPC1TP53POLBMAPT
SCHEMBL11375259 0.80 PDE5A (0.58) PDE5AMAPTGUSBPDE4APDE4B
SCHEMBL11374673 0.77 GUSB (0.58) PDE5ANPC1TP53POLBMAPT
SCHEMBL11384695 0.77 GUSB (0.71) PDE5ANPC1TP53POLBMAPT

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
US-4251531-A ANTIALLERGENS FARMITALIA CARLO ERBA S.P.A. (IT) 1981-02-17 — — US disclosed
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