SCHEMBL5795181

SCHEMBL5795181

O=[N+]([O-])c1cccnc1OCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
PIN1 Q13526 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ATM Q13315 1/20 0.60
MAPT P10636 1/20 0.57
CYP11B1 P15538 7/20 0.56
CYP11B2 P19099 7/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP19A1 P11511 4/20 0.49
CNR2 P34972 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
LTA4H P09960 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL5797887 0.89 ALDH1A1 (0.54) RAB9ANPC1PIN1MEN1KMT2A
SCHEMBL3870499 0.85 MEN1 (0.75) RAB9ANPC1PIN1MEN1KMT2A
Formaldehyde SCHEMBL27956172 0.82 MEN1 (0.71) RAB9ANPC1PIN1MEN1KMT2A
SCHEMBL2368431 0.80 ALDH1A1 (0.56) RAB9ANPC1MEN1KMT2AATM
SCHEMBL19172851 0.80 ALDH1A1 (0.56) RAB9ANPC1MEN1KMT2AATM
SCHEMBL31701918 0.80 ALDH1A1 (0.60) RAB9ANPC1MEN1KMT2AATM
Formic Acid SCHEMBL27956161 0.79 MEN1 (0.67) RAB9ANPC1PIN1MEN1KMT2A
SCHEMBL8701927 0.79 PIN1 (0.70) RAB9ANPC1PIN1MEN1KMT2A
SCHEMBL23343548 0.79 ALDH1A1 (0.59) RAB9ANPC1MEN1KMT2AATM
SCHEMBL21494387 0.79 ALDH1A1 (0.55) RAB9ANPC1MEN1KMT2AATM

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
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed