SCHEMBL5746752

SCHEMBL5746752

CCNCCCCCCNC=O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.68
ADH1A P07327 3/20 0.68
ADH7 P40394 3/20 0.68
ADH1C P00326 2/20 0.68
EPHX1 P07099 1/20 0.68
ADH4 P08319 1/20 0.68
KDM1A O60341 5/20 0.58
CYP2C19 P33261 2/20 0.57
CYP1A2 P05177 1/20 0.57
MEN1 O00255 1/20 0.52
GLA P06280 1/20 0.52
KMT2A Q03164 1/20 0.52
TSHR P16473 3/20 0.50
SAT1 P21673 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TP53 P04637 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
SCHEMBL3927772 0.95
SCHEMBL1300954 0.83
SCHEMBL8764004 0.83 ADH1B (0.72) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL13893419 0.83 CYP2C19 (0.80) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL11322360 0.83 ADH1B (0.72) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL979732 0.83 ADH1B (0.72) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL331540 0.83 CYP2C19 (0.80) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL331498 0.83 CYP2C19 (0.80) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL7089751 0.83 CYP2C19 (0.80) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL19620508 0.83 CYP2C19 (0.80) ADH1BADH1AADH7ADH1CEPHX1

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