SCHEMBL9775573

SCHEMBL9775573

O=C(Nc1ccccn1)c1c(C(F)(F)F)nc(-c2ccccc2)c(-c2ccccc2)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.50
NPC1 O15118 8/20 0.50
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
NTRK1 P04629 2/20 0.45
NTRK3 Q16288 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 1/20 0.42
PKM P14618 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PIM1 P11309 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 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
SCHEMBL9775627 0.85 XPO1 (0.48) MEN1KMT2AALDH1A1LMNA
SCHEMBL9775626 0.83 RAB9A (0.49) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL11200852 0.81 NPC1 (0.51) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL9775656 0.77 NPC1 (0.51) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL9775653 0.75 MEN1 (0.46) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL11370104 0.75 NPC1 (0.50) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL9775581 0.74 NPC1 (0.48) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL9775604 0.72 RAB9A (0.49) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL9775636 0.71 SMN1; SMN2 (0.55) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL9775616 0.71 RAB9A (0.50) RAB9ANPC1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4987140-A ANTIINFLAMMATORY, ANTIRHEUMATIC ROUSSEL UCLAF (FR) 1991-01-22 US claimed
US-4987140-A ANTIINFLAMMATORY, ANTIRHEUMATIC ROUSSEL UCLAF (FR) 1991-01-22 US disclosed
US-4925859-A Novel 4-hydroxy-3-pyridine-carboxamides useful for treating inflammation and rheumatism ROUSSEL UCLAF (FR) 1990-05-15 US disclosed