SCHEMBL9030801

SCHEMBL9030801

N=C(N)c1cc[c]c(-c2cccc(Cl)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3A P46098 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
C1S P09871 1/20 0.38
PARP1 P09874 1/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
LMNA P02545 1/20 0.37
ALOX5 P09917 1/20 0.37
IDO1 P14902 3/20 0.36
F10 P00742 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
WDR5 P61964 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL8169108 0.83 LMNA (0.48) PRSS1PRSS2PRSS3C1SLMNA
SCHEMBL8162971 0.82 C1S (0.57) PRSS1PRSS2PRSS3C1SPARP1
SCHEMBL8169397 0.82 PRSS1 (0.44) PRSS1PRSS2PRSS3C1SPARP1
SCHEMBL3022644 0.78 ALOX5 (0.42) ALOX5IDO1TAAR1
SCHEMBL8556617 0.75 F10 (0.37) PRSS1PRSS2PRSS3C1SF2
SCHEMBL2202463 0.74 PARP1 (0.63) PRSS1PRSS2PRSS3HTR3EHTR3B
SCHEMBL8162967 0.74 PRSS1 (0.39) PRSS1PRSS2PRSS3C1SF2
SCHEMBL8169720 0.73 C1S (0.44) PRSS1PRSS2PRSS3C1SF2
SCHEMBL8170510 0.73 NQO2 (0.44) PRSS1PRSS2PRSS3C1SF2
SCHEMBL8174039 0.73 NQO2 (0.43) PRSS1PRSS2PRSS3C1SF10

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
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed