SCHEMBL7017325

SCHEMBL7017325

O=C1C=C2CCCN2CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.72
ALDH1A1 P00352 3/20 0.72
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
SRD5A1 P18405 7/20 0.38
APAF1 O14727 1/20 0.32
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
SRD5A2 P31213 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL24421824 0.86 MAPT (0.87) MAPTALDH1A1KMT2AHPGDSRD5A1
SCHEMBL22606166 0.84 ALDH1A1 (0.83) MAPTALDH1A1KMT2AHPGDAPAF1
SCHEMBL6129230 0.84 ALDH1A1 (0.68) MAPTALDH1A1KMT2AHPGDSRD5A1
SCHEMBL3749456 0.75 MAPT (0.57) MAPTALDH1A1KMT2AHPGDAPAF1
SCHEMBL9445166 0.75 MAPT (0.74) MAPTALDH1A1KMT2AHPGDAPAF1
SCHEMBL16906206 0.75 MAPT (0.74) MAPTALDH1A1KMT2AHPGDUSP2
SCHEMBL1432252 0.73 MAPT (0.55) MAPTALDH1A1KMT2AHPGDAPAF1
SCHEMBL3630511 0.73 MAPT (0.55) MAPTALDH1A1KMT2AHPGDAPAF1
SCHEMBL28790486 0.72 MAPT (0.69) MAPTALDH1A1KMT2AHPGDSRD5A1
SCHEMBL15448162 0.71 MAPT (0.72) MAPTALDH1A1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP disclosed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO disclosed