SCHEMBL8995732

SCHEMBL8995732

CCOc1c(Nc2cncc(Br)c2)c(=O)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
EGFR P00533 3/20 0.34
ERBB2 P04626 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL7090620 0.80 POLB (0.47) POLBMAPTGAAEGFRCYP1A2
SCHEMBL7571735 0.79 POLB (0.55) POLBMAPTGAAEGFRERBB2
SCHEMBL7086890 0.78 POLB (0.48) POLBMAPTGAASMN1; SMN2MEN1
SCHEMBL10112748 0.78 POLB (0.68) POLBMAPTGAAKDM4ESMN1; SMN2
SCHEMBL4023982 0.76 POLB (0.55) POLBMAPTGAAKDM4ESMN1; SMN2
SCHEMBL4370102 0.75 POLB (0.53) POLBMAPTGAAMEN1KMT2A
SCHEMBL4023021 0.75 POLB (0.64) POLBMAPTGAAERBB2CYP3A4
SCHEMBL7353722 0.72 RAB9A (0.51) POLBMAPTGAAKDM4EEGFR
SCHEMBL24689858 0.71 POLB (0.41) POLBMAPTGAA
SCHEMBL6549773 0.71 POLB (0.68) POLBMAPTGAAKDM4EMEN1

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
US-5532245-A TO REDUCE SMOOTH MUSCLE CONTRACTIONS; TREATMENT FOR URINARY INCONTINENCE, IRITABLE BOWEL SYNDROME AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-02 US disclosed
US-5466712-A Smooth muscle relaxants AMERICAN HOME PRODUCTS CORPORATION (US) 1995-11-14 US disclosed