SCHEMBL8538091

SCHEMBL8538091

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KCNK3 O14649 2/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SNCA P37840 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
MAPT P10636 3/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 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 0.90 KDM4E (0.47) KMT2AMEN1KCNK3NPC1RAB9A
SCHEMBL8542887 0.87 KCNK3 (0.46) KMT2AKCNK3NPC1RAB9AHPGD
SCHEMBL8539479 0.87 ALDH1A1 (0.46) KMT2AMEN1KCNK3NPC1RAB9A
SCHEMBL8539492 0.86 MAPT (0.49) KMT2AMEN1KCNK3RAB9AALDH1A1
SCHEMBL8541777 0.83 ALDH1A1 (0.42) KMT2AMEN1KCNK3NPC1RAB9A
SCHEMBL7506955 0.83 KMT2A (0.50) KMT2AMEN1KCNK3NPC1SNCA
SCHEMBL7497380 0.83 KMT2A (0.50) KMT2AMEN1KCNK3NPC1SNCA
SCHEMBL8540369 0.79 KDM4E (0.41) KMT2AMEN1KCNK3NPC1RAB9A
SCHEMBL8544854 0.76 RAB9A (0.42) KMT2AMEN1KCNK3NPC1RAB9A
SCHEMBL10430611 0.72 AKR1C3 (0.48) KMT2AMEN1NPC1RAB9AKDM4E

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