SCHEMBL10905809

SCHEMBL10905809

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(CC)c1NC(=O)NC(=N)NC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
SGMS2 Q8NHU3 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK14 Q16539 1/20 0.38
CYP19A1 P11511 2/20 0.38
PPIA P62937 2/20 0.37
SMPD1 P17405 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL10905610 0.89 BRD4 (0.40) BRD4MEN1KMT2ASMN1; SMN2SGMS2
SCHEMBL10729709 0.87 BRD4 (0.42) BRD4MEN1KMT2ASMN1; SMN2SGMS2
SCHEMBL10906934 0.86 SMN1; SMN2 (0.42) BRD4MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL10903906 0.86 BRD4 (0.44) BRD4MEN1KMT2ASMN1; SMN2SGMS2
SCHEMBL10903888 0.85 BRD4 (0.43) BRD4MEN1KMT2ASGMS2PPIA
SCHEMBL10939273 0.84 CYP3A4 (0.36) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL10906389 0.83 CACNA1C (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10906999 0.81 BRD4 (0.45) BRD4MEN1KMT2ASMN1; SMN2SGMS2
SCHEMBL10906460 0.80 ATM (0.35) MEN1KMT2A
SCHEMBL10905670 0.80 MAPT (0.44) BRD4MEN1KMT2ASMN1; SMN2SGMS2

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-4564640-A Amidinoureas substituted in both the urea and amidino nitrogen positions WILLIAM H. RORER, INC. (US) 1986-01-14 US disclosed