SCHEMBL11629965

SCHEMBL11629965

N#Cc1cnc(-c2ccccc2F)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 1/20 0.48
GUCY1A2 P33402 1/20 0.48
GUCY1A1 Q02108 1/20 0.48
GUCY1B1 Q02153 1/20 0.48
PTGES O14684 1/20 0.44
MAPK1 P28482 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CHUK O15111 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE10A Q9Y233 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 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
SCHEMBL11629253 0.82 PTGES (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PTGES
SCHEMBL11629754 0.82 GUSB (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PTGES
SCHEMBL11625206 0.79 HTT (0.54) PTGESMAPK1ALDH1A1L3MBTL1PDE10A
SCHEMBL11628494 0.79 MAPK1 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PTGES
SCHEMBL3521755 0.78 RECQL (0.54) MAPK1CHUKALDH1A1NPC1RAB9A
SCHEMBL31558577 0.77 ALDH1A1 (0.41) PTGESALDH1A1NPC1PKMRAB9A
SCHEMBL11625024 0.77 PDE5A (0.56) MAPK1ALDH1A1PDE10AKDM4EHPGD
SCHEMBL11629633 0.76 PDE5A (0.50) PTGESMAPK1GCK
SCHEMBL11631943 0.76 MAPK1 (0.58) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PTGES
SCHEMBL11628419 0.75 PDE5A (0.56) ALDH1A1PDE10AKDM4EHPGDHIF1A

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-4082751-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1978-04-04 US disclosed