SCHEMBL8813142

SCHEMBL8813142

C[N+]#Cc1cc(N)ccc1NC(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HDAC1 Q13547 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HDAC2 Q92769 5/20 0.48
MAPK1 P28482 2/20 0.48
HDAC3 O15379 2/20 0.48
GAA P10253 1/20 0.46
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
PKM P14618 1/20 0.43
GRIK1 P39086 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KCNMA1 Q12791 1/20 0.43

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
SCHEMBL3530485 0.82 MAPT (0.62) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL7375872 0.80 KMT2A (0.54) MAPTMEN1KMT2ASMN1; SMN2HDAC2
SCHEMBL1548172 0.77 MAPT (1.00) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL11591501 0.76 HDAC1 (0.71) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL3102961 0.76 MAPT (0.67) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL29886123 0.76 MAPT (0.67) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL3529060 0.75 MAPT (0.82) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8528829 0.75 MAPT (0.69) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL29088261 0.75 MAPT (0.69) MAPTCYP1A2CYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL3532051 0.75 MAPT (0.65) MAPTCYP1A2CYP2C9CYP2C19MEN1

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-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed