SCHEMBL28014136

SCHEMBL28014136

CC(C)(C)n1ncc(C=Cc2ccc(CO)cc2)c(Cl)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ GALR3 O60755 1/20 0.45
▸ NR2F2 P24468 1/20 0.45
▸ GPR183 P32249 1/20 0.45
▸ GPR35 Q9HC97 1/20 0.45
▸ SMN1; SMN2 Q16637 7/20 0.38
▸ HTT P42858 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ PTGS1 P23219 2/20 0.36
▸ NPBWR1 P48145 4/20 0.33
▸ TSHR P16473 3/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL21442503 0.85 SMN1; SMN2 (0.41) KMT2ANPC1MEN1RAB9AGALR3
SCHEMBL16901895 0.82 NPC1 (0.40) KMT2ANPC1MEN1RAB9AGALR3
SCHEMBL15566026 0.81 NPC1 (0.40) KMT2ANPC1MEN1RAB9AGALR3
SCHEMBL16903757 0.81 NPC1 (0.40) KMT2ANPC1MEN1RAB9AGALR3
SCHEMBL15566029 0.81 NPC1 (0.40) KMT2ANPC1MEN1RAB9AGALR3
SCHEMBL15596822 0.80 PTPN1 (0.42) KMT2ANPC1MEN1RAB9ASMN1; SMN2
SCHEMBL16895311 0.80 PTPN1 (0.42) KMT2ANPC1MEN1RAB9ASMN1; SMN2
SCHEMBL15565920 0.76 NPC1 (0.50) KMT2ANPC1MEN1RAB9AGALR3
SCHEMBL14760853 0.74 SMN1; SMN2 (0.48) KMT2ANPC1MEN1RAB9AGALR3
SCHEMBL21442572 0.73 HPGD (0.36) KMT2ANPC1MEN1RAB9AGALR3

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
CN-104718193-A Compositions, methods, and systems for synthesis and use of contrast agents LANTHEUS MEDICAL IMAGING INC 2015-06-17 — — CN disclosed
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