SCHEMBL9428588

SCHEMBL9428588

CNC(=NCc1ccc(C(C)(C)C)cc1)NCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.54
NR1H4 Q96RI1 9/20 0.54
HDAC3 O15379 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9427574 0.73 TRPV1 (0.60) EPHX2NR1H4
SCHEMBL4881597 0.71 EPHX2 (0.60) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL5452234 0.71 SLC22A2 (0.52) EPHX2NR1H4CYP1A2CYP2C19RAB9A
SCHEMBL3420620 0.71 EPHX2 (0.65) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL178541 0.69 EPHX2 (0.53) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL4403136 0.69 EPHX2 (0.68) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL4618832 0.69 EPHX2 (0.68) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL28822073 0.69 EPHX2 (0.58) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL16443508 0.69 GRIN2B (0.67) MEN1KMT2ALMNA
SCHEMBL11954 0.68 EPHX2 (0.59) EPHX2NR1H4HDAC3HDAC8HDAC6

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-5281625-A Benzyl substituted guanidine derivatives, salts, and metal complexes BASF AKTIENGESELLSCHAFT (DE) 1994-01-25 US disclosed
US-5126374-A For plants, seeds, soils, effective at low concentrations BASF AKTIENGESELLSCHAFT (DE) 1992-06-30 US disclosed