SCHEMBL9840659

SCHEMBL9840659

CCCCCCCCCCCCCCCc1ccc(-c2ccc(OCC(C)CC)nn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.45
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 4/20 0.45
ATM Q13315 2/20 0.45
STAT3 P40763 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 2/20 0.40

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
SCHEMBL9235043 1.00 RAB9A (0.45) RAB9AMAPTSMN1; SMN2NPC1ATM
SCHEMBL9239609 1.00 RAB9A (0.45) RAB9AMAPTSMN1; SMN2NPC1ATM
SCHEMBL9238099 1.00 RAB9A (0.45) RAB9AMAPTSMN1; SMN2NPC1ATM
SCHEMBL9236509 1.00 RAB9A (0.45) RAB9AMAPTSMN1; SMN2NPC1ATM
SCHEMBL9239501 1.00 RAB9A (0.45) RAB9AMAPTSMN1; SMN2NPC1ATM
SCHEMBL9239836 1.00 RAB9A (0.45) RAB9AMAPTSMN1; SMN2NPC1ATM
SCHEMBL10749923 1.00 RAB9A (0.45) RAB9AMAPTSMN1; SMN2NPC1ATM
SCHEMBL9239883 1.00 RAB9A (0.45) RAB9AMAPTSMN1; SMN2NPC1ATM
SCHEMBL9815955 1.00 RAB9A (0.45) RAB9AMAPTSMN1; SMN2NPC1ATM
SCHEMBL9232720 0.99 RAB9A (0.45) RAB9AMAPTSMN1; SMN2NPC1ATM

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
EP-0220297-B1 NITROGEN-CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1991-12-11 EP claimed
EP-0220297-B1 NITROGEN-CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1991-12-11 EP disclosed