SCHEMBL8913826

SCHEMBL8913826

Nc1cccc(N)c1-c1cc2ccccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
NPC1 O15118 4/20 0.55
AOC3 Q16853 2/20 0.53
GSK3B P49841 1/20 0.50
KDM4E B2RXH2 4/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
CASP3 P42574 2/20 0.49
SENP8 Q96LD8 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49
KDR P35968 2/20 0.49
CHEK1 O14757 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
CA2 P00918 2/20 0.46

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
SCHEMBL221259 0.81 KDR (0.58) RAB9ANPC1AOC3GSK3BKDM4E
SCHEMBL29361867 0.81 KDR (0.58) RAB9ANPC1AOC3GSK3BKDM4E
SCHEMBL3138805 0.80 KDR (0.53) RAB9ANPC1AOC3GSK3BKDM4E
SCHEMBL374022 0.79 RAB9A (0.74) RAB9ANPC1AOC3GSK3BKDM4E
SCHEMBL29631691 0.79 RAB9A (0.74) RAB9ANPC1AOC3GSK3BKDM4E
SCHEMBL29727516 0.78 KDR (0.60) RAB9ANPC1AOC3GSK3BKDM4E
SCHEMBL1459874 0.77 RAB9A (0.55) RAB9ANPC1AOC3GSK3BKDM4E
SCHEMBL28187524 0.77 MAPT (0.71) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL3433722 0.75 KDM4E (0.55) RAB9ANPC1AOC3KDM4EMAPT
SCHEMBL8964895 0.74 KDM4E (0.60) RAB9ANPC1AOC3GSK3BKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5698398-A Control compositions for determination of molecular cytogenetic abnormalities with DNA probes SHASSERE CHRISTINE J (US) 1997-12-16 US disclosed
WO-1995011313-A1 CONTROL COMPOSITIONS FOR DETERMINATION OF MOLECULAR CYTOGENETIC ABNORMALITIES WITH DNA PROBES AMOCO CORPORATION (US) 1995-04-27 WO disclosed