SCHEMBL8539549

SCHEMBL8539549

N=C(N)Nc1cccc(C(=O)NC(=Cc2ccccc2)C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 5/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 2/20 0.42
PKM P14618 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
PARP1 P09874 3/20 0.41
PARP15 Q460N3 3/20 0.41
PARP10 Q53GL7 3/20 0.41

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
SCHEMBL7506955 0.92 KMT2A (0.50) KMT2AMAPTNPC1PKMKCNK3
SCHEMBL7497380 0.92 KMT2A (0.50) KMT2AMAPTNPC1PKMKCNK3
SCHEMBL8539479 0.90 ALDH1A1 (0.46) KDM4EKMT2AMAPTALDH1A1NPC1
SCHEMBL8538091 0.90 KMT2A (0.46) KDM4EKMT2AMAPTALDH1A1NPC1
SCHEMBL8542887 0.90 KCNK3 (0.46) KDM4EKMT2AALDH1A1NPC1RAB9A
SCHEMBL8541777 0.89 ALDH1A1 (0.42) KDM4EKMT2AMAPTALDH1A1NPC1
SCHEMBL8539492 0.87 MAPT (0.49) KMT2AMAPTALDH1A1RAB9APKM
SCHEMBL8540369 0.84 KDM4E (0.41) KDM4EKMT2AMAPTALDH1A1NPC1
SCHEMBL8544854 0.83 RAB9A (0.42) KMT2AALDH1A1NPC1RAB9AHPGD
SCHEMBL8538573 0.80 EPHX2 (0.41) KDM4EKMT2AMAPTALDH1A1HPGD

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