SCHEMBL6659953

SCHEMBL6659953

C/C=C/COc1ccc(-c2ccc(-c3nnc(CCCCC)s3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
XIAP P98170 1/20 0.42
HSD17B10 Q99714 3/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 1/20 0.39
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL6659959 1.00 RAB9A (0.48) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6659545 0.99 RAB9A (0.47) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6659550 0.99 RAB9A (0.47) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6658171 0.99 RAB9A (0.47) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6658179 0.99 RAB9A (0.47) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6663789 0.99 RAB9A (0.47) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6663783 0.99 RAB9A (0.47) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6658812 0.99 RAB9A (0.49) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6658817 0.99 RAB9A (0.49) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6658447 0.98 RAB9A (0.50) RAB9AMAPTLMNAKDM4ESMN1; SMN2

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-1165721-B1 LIQUID CRYSTALLINE ALKENYL COMPOUNDS INCORPORATING AN HETEROCYCLIC FIVE-MEMBERED RING QINETIQ LTD (GB) 2004-08-04 EP disclosed
US-6696110-B1 THERMOGRAPHY QINETIQ LIMITED (GB) 2004-02-24 US disclosed