SCHEMBL5128458

SCHEMBL5128458

CC(I)(C(=O)c1ccc(OCc2ccccc2)cc1)N1CCC(C(=O)Nc2ccccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.49
RAB9A P51151 3/20 0.46
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 1/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
MET P08581 1/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A7 Q99884 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL5132533 0.87 RAB9A (0.49) RAB9ANPC1LMNAPOLBSMN1; SMN2
SCHEMBL1552891 0.80 CHRM4 (0.49) F10RAB9ANPC1LMNAPOLB
SCHEMBL6684170 0.79 EGFR (0.65) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL17866416 0.78 CHRM4 (0.47) F10RAB9ANPC1LMNAPOLB
SCHEMBL1554384 0.72 GRIN2B (0.71) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL24007596 0.71 ACVRL1 (0.59) F10MEN1KMT2AMAPT
SCHEMBL17339950 0.70 RAB9A (0.66) RAB9ANPC1LMNAALDH1A1MEN1
SCHEMBL15189660 0.70 MAOB (0.69) RAB9AKDM4ELMNASMN1; SMN2GAA
SCHEMBL1554865 0.69 LTA4H (0.56) RAB9ANPC1KDM4ELMNAPOLB
SCHEMBL14638089 0.69 STS (0.61) KDM4EKMT2A

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-2008049000-A2 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION (US) 2008-04-24 WO disclosed