SCHEMBL6739894

SCHEMBL6739894

CN1C(=O)CCc2ccc3ccccc3c21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
SRD5A1 P18405 1/20 0.43
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PAX8 Q06710 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ANPEP P15144 1/20 0.36
CYP2A6 P11509 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAP2K1 Q02750 1/20 0.35

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
SCHEMBL12776571 0.88 CYP2A6 (0.42) KDM4EMAPTMEN1KMT2AALDH1A1
Iodide SCHEMBL28986961 0.83 KDM4E (0.39) KDM4EMAPTMEN1KMT2APAX8
SCHEMBL12776616 0.80 KDM4E (0.39) CYP11B1CYP11B2KDM4EMAPTMEN1
SCHEMBL6784220 0.80 BRPF1 (0.37) KDM4EMAPTMEN1KMT2APAX8
SCHEMBL12775979 0.78 CYP11B1 (0.37) CYP11B1CYP11B2KDM4EMAPTMEN1
SCHEMBL12793401 0.78 KDM4E (0.43) CYP11B1CYP11B2KDM4EMAPTMEN1
SCHEMBL6740645 0.72 ANPEP (0.38) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL8555101 0.70 SRD5A1 (0.46) CYP11B1CYP11B2SRD5A1MAPTMEN1
SCHEMBL10889128 0.70 SRD5A1 (0.46) CYP11B1CYP11B2SRD5A1CYP2A6MAP2K1
SCHEMBL11270465 0.69 NOTUM (0.49) CYP11B1CYP11B2SRD5A1MAP2K1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248310-A1 Method for detection of bromine in urine using liquid chemistry, dry chemistry test pads, and lateral flow SMITH JACK V (US) 2004-12-09 US claimed
US-20030186451-A1 Method for detection of bromine in urine using liquid chemistry, dry chemistry test pads. and lateral flow SMITH JACK V (US) 2003-10-02 US claimed
US-20030045003-A1 Method for detection of the adulterant urine luckTM in urine using liquid chemistry, dry chemistry test pads, and lateral flow SMITH JACK V (US) 2003-03-06 US claimed
US-20030027350-A1 Method for detection of bromine in urine using liquid chemistry, dry chemistry test pads, and lateral flow SMITH JACK V (US) 2003-02-06 US claimed
US-20040248310-A1 Method for detection of bromine in urine using liquid chemistry, dry chemistry test pads, and lateral flow SMITH JACK V (US) 2004-12-09 US disclosed
US-20030186451-A1 Method for detection of bromine in urine using liquid chemistry, dry chemistry test pads. and lateral flow SMITH JACK V (US) 2003-10-02 US disclosed
US-6537823-B1 Use in determination of adulterants in illicit drug screening samples as a means of detecting false negative results SCITECK DIAGNOSTICS, INC. 2003-03-25 US disclosed
US-20030045003-A1 Method for detection of the adulterant urine luckTM in urine using liquid chemistry, dry chemistry test pads, and lateral flow SMITH JACK V (US) 2003-03-06 US disclosed
US-20030027350-A1 Method for detection of bromine in urine using liquid chemistry, dry chemistry test pads, and lateral flow SMITH JACK V (US) 2003-02-06 US disclosed