SCHEMBL8536796

SCHEMBL8536796

COc1[c]cccc1NC(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
PLAU P00749 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNK3 O14649 2/20 0.44
KCNK9 Q9NPC2 2/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
CHUK O15111 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42

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
SCHEMBL8536831 0.85 KCNK3 (0.46) ALDH1A1PLAUMEN1KMT2ARXFP1
SCHEMBL8539472 0.82 PARP1 (0.47) ALDH1A1PLAURAB9ANPC1MEN1
SCHEMBL8537945 0.80 PTGS1 (0.46) RAB9AMEN1KMT2ARXFP1KCNK3
SCHEMBL8542403 0.80 KCNK3 (0.41) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL8542656 0.76 KCNK3 (0.50) ALDH1A1PLAURAB9ANPC1MEN1
SCHEMBL9304048 0.74 SIRT2 (0.55) PLAUMEN1KMT2ARXFP1KCNK3
SCHEMBL8540350 0.73 ITGB3 (0.50) ALDH1A1PLAURAB9ANPC1MEN1
SCHEMBL7975430 0.73 ALDH1A1 (0.72) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL9303041 0.73 PLAU (0.61) PLAUMEN1KMT2ARXFP1KCNK3
SCHEMBL895690 0.72 MEN1 (0.63) ALDH1A1MEN1KMT2A

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
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US claimed
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US disclosed