SCHEMBL10907692

SCHEMBL10907692

CNC(=N)NC(=O)Nc1c(C)cc(OCc2ccccc2)c(OCc2ccccc2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
FFAR4 Q5NUL3 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
BRD4 O60885 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
PTGER1 P34995 1/20 0.38
MCL1 Q07820 1/20 0.38
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 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
SCHEMBL10905770 0.90 BRD4 (0.45) PTPN1FFAR4SMN1; SMN2BRD4LMNA
SCHEMBL10903817 0.88 PTPN1 (0.41) PTPN1FFAR4SMN1; SMN2BRD4KMT2A
SCHEMBL10905670 0.86 MAPT (0.44) PTPN1FFAR4SMN1; SMN2BRD4MEN1
SCHEMBL10903906 0.85 BRD4 (0.44) FFAR4SMN1; SMN2BRD4MEN1KMT2A
Hydrochloric Acid SCHEMBL10906203 0.85 MAPT (0.44) PTPN1FFAR4SMN1; SMN2BRD4MEN1
SCHEMBL10905417 0.83 MRGPRX4 (0.44) FFAR4SMN1; SMN2MEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL10907709 0.82 MRGPRX4 (0.44) FFAR4SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL10907003 0.82 CLCN2 (0.42) SMN1; SMN2BRD4MEN1KMT2ALMNA
SCHEMBL10906376 0.82 TSHR (0.37) SMN1; SMN2MEN1KMT2AGAALMNA
SCHEMBL10906934 0.81 SMN1; SMN2 (0.42) SMN1; SMN2BRD4MEN1KMT2AGAA

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