SCHEMBL6142181

SCHEMBL6142181

Cc1cc2cccnc2cc1N=C(N)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.50
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 4/20 0.45
CCR1 P32246 1/20 0.42
CCR8 P51685 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
CASP6 P55212 1/20 0.41
CASP1 P29466 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP7 P55210 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6142571 0.81 ADRA2A (0.45) PLAUMAPTMEN1KMT2AATM
SCHEMBL31186675 0.75 ALDH1A1 (0.61) MAPTMEN1KMT2AATMNPC1
SCHEMBL8404544 0.75 ALDH1A1 (0.61) MAPTMEN1KMT2AATMNPC1
SCHEMBL7032103 0.75 ALDH1A1 (0.41) PLAUMAPTMEN1KMT2AATM
SCHEMBL21593663 0.75 NPC1 (0.43) MAPTMEN1KMT2AATMNPC1
SCHEMBL30344129 0.73 PARP1 (0.50) MAPTMEN1KMT2AATMNPC1
SCHEMBL3063225 0.73 CASP6 (0.58) MAPTMEN1KMT2AATMNPC1
SCHEMBL5542743 0.73 ALDH1A1 (0.53) MAPTMEN1KMT2AATMNPC1
SCHEMBL6142388 0.70 LMNA (0.49) PLAUMAPTMEN1KMT2ANPC1
SCHEMBL23596020 0.69 ALDH1A1 (0.53) MAPTMEN1KMT2AATMNPC1

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-0944604-B1 GUANIDINYL HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2005-01-12 EP claimed