SCHEMBL15225860

SCHEMBL15225860

CC(C)(C)C(c1ccc(-c2cc3nccc(Cl)c3s2)cc1)C(OC(N)=O)C1CCCO1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 4/20 0.35
▸ STK17B O94768 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CHEK1 O14757 3/20 0.32
▸ MAP3K8 P41279 1/20 0.32
▸ MCHR1 Q99705 5/20 0.32
▸ KIT P10721 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL15225861 0.76 HTT (0.41) SMN1; SMN2NPC1RAB9AKMT2ATDP1
SCHEMBL3565107 0.74 STK17B (0.38) STK17BMAP3K8MCHR1KMT2A
SCHEMBL15225858 0.73 EGFR (0.35) STK17BSMN1; SMN2CHEK1MAP3K8MCHR1
SCHEMBL5089101 0.70 STK17B (0.36) STK17BSMN1; SMN2MAP3K8KMT2A
SCHEMBL3626959 0.67 POLB (0.47) —
SCHEMBL2533961 0.63 MCHR1 (0.32) STK17BMAP3K8MCHR1KITNPC1
SCHEMBL6246290 0.62 SLC6A3 (0.38) SLC6A3SMN1; SMN2
SCHEMBL5242191 0.61 CDC7 (0.43) STK17BSMN1; SMN2MAP3K8MCHR1NPC1
SCHEMBL14831652 0.60 TYK2 (0.54) STK17BSMN1; SMN2MAP3K8MCHR1KIT
SCHEMBL6002954 0.60 IKBKB (0.54) STK17BSMN1; SMN2MAP3K8MCHR1NPC1

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
EP-1781664-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2013-09-04 — — EP disclosed
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