SCHEMBL7734381

SCHEMBL7734381

CCCCCc1ccc(-c2cc[c]cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
RAB9A P51151 4/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37
NPC1 O15118 2/20 0.36
STAT3 P40763 1/20 0.36
ATM Q13315 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL10462432 0.83 MAPT (0.54) RAB9AMAPTSMN1; SMN2HSD17B10KDM4E
SCHEMBL10459581 0.82 MAPT (0.49) RAB9AMAPTSMN1; SMN2HSD17B10KDM4E
SCHEMBL10461203 0.82 MAPT (0.56) RAB9AMAPTSMN1; SMN2HSD17B10KDM4E
SCHEMBL10462220 0.82 MAPT (0.56) RAB9AMAPTSMN1; SMN2HSD17B10KDM4E
SCHEMBL10459849 0.82 RAB9A (0.53) RAB9AMAPTSMN1; SMN2HSD17B10KDM4E
SCHEMBL10461219 0.82 RAB9A (0.53) RAB9AMAPTSMN1; SMN2HSD17B10KDM4E
SCHEMBL10461041 0.82 MAPT (0.56) RAB9AMAPTSMN1; SMN2HSD17B10KDM4E
SCHEMBL10462486 0.82 MAPT (0.56) RAB9AMAPTSMN1; SMN2HSD17B10KDM4E
SCHEMBL10460929 0.82 MAPT (0.56) RAB9AMAPTSMN1; SMN2HSD17B10KDM4E
SCHEMBL10462330 0.82 MAPT (0.56) RAB9AMAPTSMN1; SMN2HSD17B10KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929508-B1 LIQUID CRYSTALLINE (E,E)-BUTADIENE COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS QINETIQ LTD (GB) 2002-03-20 EP disclosed
US-6333082-B1 USEFUL IN SUPER TWISTED NEMATIC LIQUID CRYSTAL DISPLAYS QINETIQ LTD (GB) 2001-12-25 US disclosed
EP-0929508-A1 LIQUID CRYSTALLINE ($i(E,E))-BUTADIENE COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1999-07-21 EP disclosed
WO-1998013325-A1 LIQUID CRYSTALLINE (E,E)-BUTADIENE COMPOUNDS AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1998-04-02 WO disclosed