SCHEMBL20123332

SCHEMBL20123332

Cc1cc(NC(=O)c2ccccc2)c(Cl)cc1N=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ MAPT P10636 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ KCNMA1 Q12791 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ LMNA P02545 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL11985003 0.88 NPC1 (0.52) POLBHPGDMAPTCYP1A2CYP2C9
SCHEMBL3445622 0.80 MAPT (0.62) POLBHPGDMAPTCYP1A2CYP2C9
SCHEMBL13788773 0.80 MAPT (0.58) POLBHPGDMAPTCYP1A2CYP2C9
SCHEMBL9362200 0.80 HDAC1 (0.68) MAPTHDAC1HDAC8HDAC6NPC1
SCHEMBL10895501 0.78 KCNMA1 (0.69) POLBHPGDMAPTCYP1A2HDAC1
SCHEMBL31670343 0.78 KCNMA1 (0.69) POLBHPGDMAPTCYP1A2HDAC1
SCHEMBL12355510 0.77 CYP1A2 (0.55) POLBHPGDMAPTCYP1A2CYP2C9
SCHEMBL1258663 0.77 POLB (0.51) POLBHPGDMAPTCYP1A2CYP2C9
SCHEMBL12347501 0.77 MAPT (0.55) POLBHPGDMAPTCYP1A2CYP2C9
SCHEMBL14900902 0.77 POLB (0.72) POLBHPGDMAPTCYP1A2CYP2C9

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-2588144-B1 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MED SYST INC (US) 2018-05-09 — — EP disclosed
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