SCHEMBL7835688

SCHEMBL7835688

CSc1cccc(C(C)(NC(=O)CNC(=O)c2cccc(NC=NN)c2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCR2 P41597 8/20 0.36
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRK2 P25098 2/20 0.33
GRK3 P35626 2/20 0.33
GRK5 P34947 1/20 0.33
LMNA P02545 1/20 0.33
F2 P00734 2/20 0.33
TMPRSS6 Q8IU80 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL7345772 0.74 GPR132 (0.39) ALDH1A1
SCHEMBL27486186 0.73 ITGB1 (0.39) SMN1; SMN2TP53TSHRRAB9ANPSR1
SCHEMBL7336956 0.73 ITGB3 (0.45)
SCHEMBL6778203 0.69 CTSS (0.47) SMN1; SMN2NPSR1ALDH1A1POLB
SCHEMBL6780118 0.69 ITGB3 (0.47) HTTL3MBTL1
SCHEMBL6778846 0.68 KMT2A (0.36) SMN1; SMN2NPSR1L3MBTL1LMNA
SCHEMBL6779680 0.68 GPR139 (0.45)
SCHEMBL7344227 0.67 HTT (0.40) SMN1; SMN2RAB9ACCR2HTTL3MBTL1
SCHEMBL27502755 0.66 ITGB3 (0.41) SMN1; SMN2NPSR1HTTL3MBTL1LMNA
SCHEMBL7339304 0.66 ITGB3 (0.45) HTTL3MBTL1

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-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US disclosed