SCHEMBL7062810

SCHEMBL7062810

Brc1nc(Nc2cccc(CN3CCCCC3)n2)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.40
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FAAH O00519 1/20 0.36
CHRNA7 P36544 1/20 0.35
ACKR3 P25106 1/20 0.35
JAK2 O60674 2/20 0.35
KCNH2 Q12809 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL5354718 0.84 CDK5 (0.52) CXCR4CDK5CDK5R1ALDH1A1FAAH
SCHEMBL7062808 0.74 CXCR4 (0.40) CXCR4SMN1; SMN2TDP1ALDH1A1KDM4E
SCHEMBL1427945 0.74 SMN1; SMN2 (0.46) SMN1; SMN2TDP1ALDH1A1KDM4ECHRNA7
SCHEMBL18157904 0.73 CXCR4 (0.66) CXCR4SMN1; SMN2TDP1ALDH1A1KDM4E
SCHEMBL839038 0.73 FAAH (0.53) CXCR4SMN1; SMN2TDP1ALDH1A1KDM4E
SCHEMBL12726809 0.72 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4ECHRNA7POLB
Hydrochloric Acid SCHEMBL29604003 0.72 CXCR4 (0.63) CXCR4SMN1; SMN2TDP1ALDH1A1KDM4E
Bromide SCHEMBL29605492 0.72 CXCR4 (0.63) CXCR4SMN1; SMN2TDP1ALDH1A1KDM4E
SCHEMBL20609083 0.72 CXCR4 (0.68) CXCR4SMN1; SMN2TDP1ALDH1A1KDM4E
SCHEMBL5343458 0.72 CDK5 (0.52) CDK5CDK5R1SMN1; SMN2ACKR3

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
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP disclosed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO disclosed