SCHEMBL6619213

SCHEMBL6619213

Cc1ccc2ccccc2c1C(Br)C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.46
TSHR P16473 4/20 0.46
CYP2A6 P11509 3/20 0.46
ACP3 P15309 1/20 0.40
ALDH1A1 P00352 5/20 0.39
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 2/20 0.36
ERN1 O75460 1/20 0.36
KMT2A Q03164 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 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
SCHEMBL19682355 0.80 CYP1A2 (0.54) CYP1A2TSHRCYP2A6ACP3ALDH1A1
SCHEMBL6621589 0.79 CYP1A2 (0.46) CYP1A2TSHRCYP2A6ACP3ALDH1A1
SCHEMBL5950131 0.79 MAPT (0.50) CYP1A2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL18242403 0.78 CYP1A2 (0.52) CYP1A2TSHRCYP2A6ACP3ALDH1A1
SCHEMBL5950064 0.75 L3MBTL1 (0.45) CYP1A2TSHRALDH1A1CYP2C9CYP2C19
SCHEMBL840498 0.75 CA1 (0.39) CYP1A2TSHRCYP2A6ALDH1A1TDP1
SCHEMBL11045725 0.74 LMNA (0.38) CYP1A2TSHRCYP2A6ACP3ALDH1A1
SCHEMBL2126761 0.74 CYP1A2 (0.56) CYP1A2TSHRCYP2A6ACP3ALDH1A1
SCHEMBL5236808 0.71 CYP1A2 (0.48) CYP1A2TSHRCYP2A6ALDH1A1CYP2C9
SCHEMBL1707630 0.71 CYP2A6 (0.52) CYP1A2TSHRCYP2A6ACP3ALDH1A1

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
EP-1474140-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2004-11-10 EP disclosed
WO-2003068226-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2003-08-21 WO disclosed