SCHEMBL8544854

SCHEMBL8544854

N=C(N)Nc1cccc(C(=O)NC(=CCc2ccccc2)C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
NR1H4 Q96RI1 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNK3 O14649 2/20 0.40
KCNK9 Q9NPC2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 2/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL8539549 0.83 KDM4E (0.47) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL7506955 0.79 KMT2A (0.50) KMT2AMEN1NPC1KCNK3KCNK9
SCHEMBL7497380 0.79 KMT2A (0.50) KMT2AMEN1NPC1KCNK3KCNK9
SCHEMBL8541777 0.77 ALDH1A1 (0.42) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL8539479 0.76 ALDH1A1 (0.46) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL8542887 0.76 KCNK3 (0.46) RAB9AKMT2ANPC1ALDH1A1HPGD
SCHEMBL8538091 0.76 KMT2A (0.46) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL7864209 0.74 HPSE (0.62) KMT2AMEN1NR1H4ITGB3ITGA2B
SCHEMBL8539492 0.74 MAPT (0.49) RAB9AKMT2AMEN1ALDH1A1KCNK3
SCHEMBL8540369 0.73 KDM4E (0.41) RAB9AKMT2AMEN1NPC1ALDH1A1

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 1 patent. 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