SCHEMBL8539492

SCHEMBL8539492

N=C(N)Nc1cccc(C(=O)N/C(=C/c2cccc(C(F)(F)F)c2)C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KCNK3 O14649 2/20 0.49
LMNA P02545 3/20 0.48
PTGS1 P23219 2/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 4/20 0.45
PKM P14618 2/20 0.45
RAB9A P51151 2/20 0.45
HSP90AA1 P07900 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KCNK9 Q9NPC2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CCR2 P41597 1/20 0.43
POLB P06746 1/20 0.43
P2RX1 P51575 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RXFP1 Q9HBX9 2/20 0.42
MAOB P27338 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
SCHEMBL8539549 0.87 KDM4E (0.47) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL8538091 0.86 KMT2A (0.46) MAPTKCNK3MEN1KMT2ARAB9A
SCHEMBL8542887 0.84 KCNK3 (0.46) KCNK3KMT2ARAB9AKCNK9ALDH1A1
SCHEMBL8539479 0.84 ALDH1A1 (0.46) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL8541777 0.81 ALDH1A1 (0.42) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL7506955 0.80 KMT2A (0.50) MAPTKCNK3MEN1KMT2APKM
SCHEMBL7497380 0.80 KMT2A (0.50) MAPTKCNK3MEN1KMT2APKM
SCHEMBL8540369 0.77 KDM4E (0.41) MAPTKCNK3LMNAMEN1KMT2A
Bicarbonate SCHEMBL7469511 0.76 MAPT (0.65) MAPTKCNK3LMNAPTGS1MEN1
SCHEMBL5896056 0.74 LMNA (0.61) MAPTKCNK3LMNAMEN1KMT2A

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