SCHEMBL6740937

SCHEMBL6740937

CC1CCc2ccc3ccccc3c2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NFKB1 P19838 6/20 0.36
▸ NFKB2 Q00653 6/20 0.36
▸ RELA Q04206 6/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ CYP2A6 P11509 1/20 0.35
▸ TSHR P16473 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
SCHEMBL19511078 0.80 ALDH1A1 (0.35) ALDH1A1KDM4ETSHRHSD17B10GFER
SCHEMBL21358235 0.75 CYP1A2 (0.47) ALDH1A1GAAMAPTHPGDNFKB1
SCHEMBL19056875 0.75 SLC40A1 (0.45) KDM4EMAPTNFKB1CYP2D6HIF1A
Hydrochloric Acid SCHEMBL14741343 0.74 CYP1A2 (0.46) ALDH1A1GAAMAPTHPGDNFKB1
SCHEMBL21359924 0.74 MEN1 (0.41) NFKB1NFKB2RELACYP1A2CYP2D6
SCHEMBL28810122 0.74 CA1 (0.36) ADRA2AADRA2BADRA2CALDH1A1KDM4E
SCHEMBL11264083 0.74 NFKB1 (0.42) ALDH1A1KDM4EGAAMAPTHPGD
SCHEMBL11088069 0.73 POLB (0.40) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL19056900 0.71 CCR1 (0.42) RELA
SCHEMBL10840190 0.70 MEN1 (0.50) POLBALDH1A1KDM4EMAPTHPGD

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
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