SCHEMBL5746745

SCHEMBL5746745

CCNCCCCCCN[C]=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
KDM1A O60341 5/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 2/20 0.46
SAT1 P21673 3/20 0.41
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 1/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
S1PR2 O95136 4/20 0.32
S1PR4 O95977 4/20 0.32
S1PR1 P21453 4/20 0.32

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
SCHEMBL3927769 0.93
SCHEMBL5256140 0.84 ALDH1A1 (0.59) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL7021634 0.84 ALDH1A1 (0.59) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL1300951 0.82
SCHEMBL3425766 0.82 KDM4E (0.30)
SCHEMBL5254377 0.81 TSHR (0.55) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL10873634 0.80 EPHX1 (0.48) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL9661841 0.80 EPHX1 (0.48) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL11109100 0.80 EPHX1 (0.48) TSHRALDH1A1EPHX1ADH1BADH1C
SCHEMBL76962 0.80 EPHX1 (0.48) TSHRALDH1A1EPHX1ADH1BADH1C

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-1020446-B1 NAPHTHALIMIDOBENZAMIDE DERIVATIVES TAIHO PHARMACEUTICAL CO LTD (JP) 2006-03-15 EP disclosed
US-6300331-B1 DRUGS AS ANTITUMOR AGENTS OR ANTICARCINOGENIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-1020446-A1 NAPHTHALIMIDOBENZAMIDE DERIVATIVES TAIHO PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed