SCHEMBL9041963

SCHEMBL9041963

CCC(=O)c1cc(N2CCC(CN(C)C)C2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.40
LGMN Q99538 2/20 0.40
USP30 Q70CQ3 1/20 0.37
MELK Q14680 9/20 0.35
BPTF Q12830 1/20 0.35
CTSK P43235 1/20 0.34
CTSC P53634 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 2/20 0.34
MAPK1 P28482 1/20 0.34
NOTUM Q6P988 1/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4253253 0.79 GAA (0.49) LGMNBPTFALDH1A1MAPTALOX15
Dimethylamine SCHEMBL9041971 0.79 SMN1; SMN2 (0.46) IP6K1LGMNSMN1; SMN2ALDH1A1MAPT
SCHEMBL27760675 0.77 BPTF (0.40) LGMNBPTFCTSKCTSCALDH1A1
SCHEMBL6222765 0.74 IP6K1 (0.51) IP6K1LGMNL3MBTL1
SCHEMBL9042190 0.74 KDM4E (0.55) IP6K1ALDH1A1MAPTMAPK1KDM4E
SCHEMBL2463468 0.73 CTSK (0.41) IP6K1CTSKCTSCALDH1A1MAPT
SCHEMBL2463471 0.73 CTSK (0.41) IP6K1CTSKCTSC
SCHEMBL22652219 0.71 GAA (0.35) IP6K1LGMNCTSKCTSCALDH1A1
SCHEMBL9041965 0.70 BPTF (0.42) BPTFALDH1A1NOTUMKDM4EHSD17B10
SCHEMBL12092567 0.69 NOTUM (0.46) BPTFALDH1A1MAPTNOTUMKDM4E

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-0471358-B1 Fluoroethylcamptothecin derivatives KYORIN SEIYAKU KK (JP) 1996-05-08 EP disclosed
EP-0471358-A1 Fluoroethylcamptothecin derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-02-19 EP disclosed