SCHEMBL8919802

SCHEMBL8919802

O=C(CCCCCCCCC(=O)Nc1ccc(P(=O)(O)O)cc1[N+](=O)[O-])Nc1ccc(P(=O)(O)O)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
NPC1 O15118 4/20 0.51
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
HCAR3 P49019 1/20 0.41
PKM P14618 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
SCHEMBL12388226 0.75 MAPT (0.56) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL719005 0.73 KDM4E (0.57) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL1810653 0.73 RAB9A (0.47) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL8396995 0.72 NPC1 (0.72) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL2169866 0.72 MAPT (0.61) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL8920364 0.70 ENPP2 (0.57) MEN1KMT2AHDAC1HDAC3
SCHEMBL8920494 0.70 ENPP2 (0.57) MEN1KMT2AHDAC1HDAC3
SCHEMBL8921731 0.70 ENPP2 (0.57) MEN1KMT2AHDAC1HDAC3
SCHEMBL8920548 0.70 ENPP2 (0.57) MEN1KMT2AHDAC1HDAC3
SCHEMBL8921079 0.70 ENPP2 (0.57) MEN1KMT2AHDAC1HDAC3

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-5670493-A ANGIOGENESIS INHIBITORS ADIR ET COMPAGNIE (FR) 1997-09-23 US disclosed