SCHEMBL25527631

SCHEMBL25527631

CC(=N)/C(=C(/C)N)c1ccc(N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 2/20 0.54
▸ MASP2 O00187 1/20 0.54
▸ THPO P40225 1/20 0.54
▸ F2 P00734 1/20 0.52
▸ PRSS1 P07477 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ PRSS3 P35030 1/20 0.52
▸ CYP19A1 P11511 3/20 0.45
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ NOS3 P29474 2/20 0.39
▸ NOS1 P29475 2/20 0.39
▸ NOS2 P35228 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP3A4 P08684 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL21262437 0.83 NQO2 (0.41) PLAUPRSS1PRSS3NOS3NOS1
SCHEMBL24964824 0.81 LMNA (0.54) PLAUMAPTNPC1RAB9ACYP3A4
SCHEMBL24514392 0.78 LOXL2 (0.59) PLAUPRSS1PRSS3NOS3NOS1
SCHEMBL21285852 0.75 NNMT (0.52) PLAUMASP2THPONOS3NOS2
SCHEMBL18480045 0.74 PLAU (0.59) PLAUMASP2THPOF2PRSS1
SCHEMBL22143896 0.74 TSHR (0.55) CYP19A1ESR1ESR2NOS1MAPK1
SCHEMBL25659977 0.71 ADRA2A (0.38) PLAUMASP2THPOF2PRSS1
SCHEMBL150756 0.71 PLAU (1.00) PLAUMASP2THPOF2PRSS1
Acetic Acid SCHEMBL7398032 0.70 MASP2 (0.74) PLAUMASP2THPOF2PRSS1
SCHEMBL22143974 0.69 PLAU (0.35) PLAUMASP2THPOF2PRSS1

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-4183783-A1 IMMUNOMODULATOR Hitgen Inc. (CN) 2023-05-24 — — EP disclosed
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