SCHEMBL11380795

SCHEMBL11380795

CC(C)Oc1ccccc1-c1nc2ccc(C(=O)Cl)cc2c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 7/20 0.55
▸ GUSB P08236 5/20 0.47
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TNKS O95271 1/20 0.42
▸ ABL1 P00519 1/20 0.40
▸ MAP2 P11137 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
SCHEMBL11375677 0.91 PDE5A (0.54) PDE5AGUSBALOX15HSD17B10KDM4E
SCHEMBL11374270 0.86 ALDH1A1 (0.55) PDE5AGUSBALOX15HSD17B10KDM4E
SCHEMBL10205334 0.81 GUSB (0.68) PDE5AGUSBKDM4EHPGDTNKS
SCHEMBL11377859 0.81 GUSB (0.51) PDE5AGUSBHSD17B10KDM4EHPGD
SCHEMBL11559725 0.80 TP53 (0.44) PDE5AGUSBHSD17B10KDM4EHPGD
SCHEMBL11383000 0.80 PDE5A (0.44) PDE5AGUSBALOX15HSD17B10ABL1
SCHEMBL11382413 0.79 GUSB (0.59) GUSBKDM4EHPGDTNKS
SCHEMBL11390124 0.79 PDE5A (0.41) PDE5AHSD17B10KDM4EHPGDTNKS
SCHEMBL11391684 0.79 PDE5A (0.41) PDE5AGUSBHSD17B10KDM4EHPGD
SCHEMBL11554463 0.78 GUSB (0.51) PDE5AGUSB

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
Send feedback