SCHEMBL7921349

SCHEMBL7921349

C=CC(N)c1cc2cc3ccoc3cc2oc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ACHE P22303 2/20 0.48
CYP2A6 P11509 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
NFKB1 P19838 1/20 0.48
MAOA P21397 1/20 0.48
CYP2C19 P33261 1/20 0.48
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
PTPN1 P18031 3/20 0.35
DYRK1A Q13627 2/20 0.33
CDK9 P50750 1/20 0.33
NPC1 O15118 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 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
SCHEMBL7142288 0.79 SMN1; SMN2 (0.51) HSD17B10CYP2A6KDM4ECYP2C9MAOA
SCHEMBL5488820 0.73 CYP2A6 (0.59) HTTCYP3A4HSD17B10ACHECYP2A6
SCHEMBL15941545 0.70 HTT (1.00) HTTCYP3A4HSD17B10ACHECYP2A6
SCHEMBL4235603 0.70 CYP3A4 (0.59) HTTCYP3A4HSD17B10ACHECYP2A6
SCHEMBL3467047 0.70 CYP3A4 (0.59) HTTCYP3A4HSD17B10ACHECYP2A6
SCHEMBL7830030 0.70 CYP2A6 (0.59) HTTCYP3A4HSD17B10ACHECYP2A6
SCHEMBL4247907 0.70 MAOA (0.54) HTTCYP3A4HSD17B10ACHECYP2A6
SCHEMBL7754898 0.69 HTT (0.53) HTTCYP3A4HSD17B10ACHECYP2A6
SCHEMBL8936325 0.68 MAOA (0.56) HTTCYP3A4HSD17B10ACHECYP2A6
SCHEMBL7003510 0.67 MAOA (0.54) HTTCYP3A4HSD17B10ACHECYP2A6

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-6218100-B1 ELIMINATING VIRAL DISEASE TRANSMISSION THROUGH BLOOD PRODUCTS VIA SAID COMPOSITIONS WHICH HAVE ABILITY TO INACTIVATE PATHOGENS IN PRESENCE OF ULTAVIOLET LIGHT WITHOUT EFFECTING BLOOD PRODUCT FUNCTIONING OR EXHIBITING MUTAGENICITY CERUS CORPORATION 2001-04-17 US disclosed
US-5565320-A MEASURING THE INHIBITION OF TEMPLATE-DEPENDENT ENZYMATIC SYNTHESIS OF NUCLEIC ACID OF LYMPHOCYTES STERITECH, INC. (US) 1996-10-15 US disclosed