SCHEMBL6663783

SCHEMBL6663783

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
XIAP P98170 1/20 0.41
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 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
SCHEMBL6659550 1.00 RAB9A (0.47) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6658179 1.00 RAB9A (0.47) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6659545 1.00 RAB9A (0.47) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6658171 1.00 RAB9A (0.47) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6663789 1.00 RAB9A (0.47) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6659959 0.99 RAB9A (0.48) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6659953 0.99 RAB9A (0.48) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6658817 0.98 RAB9A (0.49) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6658812 0.98 RAB9A (0.49) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6658451 0.96 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