SCHEMBL4738424

SCHEMBL4738424

O=C(Nc1ccc(F)cc1)c1cnc(N2CCCCC2)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
NPC1 O15118 5/20 0.65
TP53 P04637 4/20 0.65
ALOX15 P16050 1/20 0.65
MAPK1 P28482 1/20 0.65
HTT P42858 1/20 0.65
MAPT P10636 6/20 0.61
ALDH1A1 P00352 3/20 0.57
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53
P4HTM Q9NXG6 1/20 0.52
TSHR P16473 1/20 0.51
CTNNB1 P35222 2/20 0.51
TCF7L2 Q9NQB0 2/20 0.51
GFER P55789 1/20 0.50
PTPN11 Q06124 1/20 0.50
PKM P14618 1/20 0.50

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
Hydrochloric Acid SCHEMBL4738976 0.99 RAB9A (0.64) RAB9ASMN1; SMN2NPC1TP53ALOX15
SCHEMBL16554592 0.80 MAPT (0.48) RAB9ASMN1; SMN2NPC1TP53ALOX15
SCHEMBL3142490 0.79 RAB9A (1.00) RAB9ASMN1; SMN2NPC1TP53ALOX15
SCHEMBL18470910 0.79 RAB9A (1.00) RAB9ASMN1; SMN2NPC1TP53ALOX15
SCHEMBL12395356 0.76 HDAC6 (0.61) MAPT
SCHEMBL4735305 0.75 HDAC3 (0.56) RAB9ASMN1; SMN2NPC1TP53ALOX15
SCHEMBL1663960 0.75 MAPT (0.60) RAB9ASMN1; SMN2NPC1MAPK1HTT
SCHEMBL13930689 0.75 MAPT (0.70) RAB9ASMN1; SMN2NPC1TP53ALOX15
SCHEMBL16436048 0.75 PTPN1 (0.61) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL16436052 0.75 KCNQ3 (0.65) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A

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
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed