SCHEMBL11375759

SCHEMBL11375759

CCOc1cccnc1-c1nc2ccc(C(=O)O)cc2c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 3/20 0.50
▸ POLB P06746 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ PDE10A Q9Y233 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ CBFB Q13951 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TTR P02766 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PDE5A O76074 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ TNKS O95271 1/20 0.39
▸ MGLL Q99685 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
SCHEMBL11384772 0.92 PDE5A (0.50) GUSBPOLBNPC1TP53MAPT
SCHEMBL11380779 0.91 PDE5A (0.45) GUSBPOLBNPC1TP53MAPT
SCHEMBL11387133 0.89 CBFB (0.53) GUSBPOLBPDE10ACBFBTSHR
SCHEMBL11377954 0.86 CBFB (0.41) GUSBPOLBNPC1TP53MAPT
SCHEMBL11384695 0.85 GUSB (0.71) GUSBPOLBNPC1TP53MAPT
SCHEMBL11381930 0.84 ALDH1A1 (0.55) GUSBPOLBNPC1TP53MAPT
SCHEMBL11553024 0.82 GUSB (0.57) GUSBPOLBNPC1TP53MAPT
SCHEMBL11554055 0.81 GUSB (0.55) GUSBPOLBNPC1TP53MAPT
SCHEMBL11549471 0.78 GUSB (0.53) GUSBPOLBNPC1TP53MAPT
SCHEMBL11553636 0.78 GUSB (0.52) GUSBPOLBNPC1TP53MAPT

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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