SCHEMBL6658447

SCHEMBL6658447

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.44
KDM4E B2RXH2 5/20 0.44
NPC1 O15118 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
XIAP P98170 1/20 0.43
HSD17B10 Q99714 3/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 1/20 0.40
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SUCNR1 Q9BXA5 1/20 0.36
USP2 O75604 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 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
SCHEMBL6658451 1.00 RAB9A (0.50) RAB9AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL6659953 0.98 RAB9A (0.48) RAB9AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL6659959 0.98 RAB9A (0.48) RAB9AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL6659545 0.96 RAB9A (0.47) RAB9AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL6663789 0.96 RAB9A (0.47) RAB9AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL6658171 0.96 RAB9A (0.47) RAB9AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL6663783 0.96 RAB9A (0.47) RAB9AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL6658179 0.96 RAB9A (0.47) RAB9AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL6659550 0.96 RAB9A (0.47) RAB9AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL6658817 0.96 RAB9A (0.49) RAB9AMAPTLMNASMN1; SMN2KDM4E

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