SCHEMBL6168604

SCHEMBL6168604

COC(=O)c1c(N)c(Br)cc2c1CCCC2.COC(=O)c1c(N)ccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 3/20 0.40
▸ ALDH1A1 P00352 7/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ NCEH1 Q6PIU2 2/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ SLC6A2 P23975 3/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL3987143 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL3978725 0.78 NCEH1 (0.57) ALDH1A1KDM4EHPGDMAPTNCEH1
SCHEMBL15387933 0.76 ALDH1A1 (0.58) TLR2ALDH1A1KDM4EHPGDMAPT
SCHEMBL3980109 0.73 METAP2 (0.43) TLR2ALDH1A1KDM4EHPGDMAPT
SCHEMBL6603121 0.70 USP2 (0.44) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL1506559 0.70 ALDH1A1 (0.43) TLR2ALDH1A1KDM4EHPGDMAPT
SCHEMBL28421747 0.70 NCEH1 (0.57) ALDH1A1KDM4EHPGDMAPTNCEH1
SCHEMBL5183246 0.69 MEN1 (0.39) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL27687463 0.69 SLC6A3 (0.43) TLR2ALDH1A1KDM4EHPGDMAPT
SCHEMBL29284884 0.68 USP2 (0.41) ALDH1A1KDM4EHPGDMAPTPOLB

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-1549613-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY Abbott Laboratories (US) 2005-07-06 — — EP disclosed
WO-2004033419-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY ABBOTT LABORATORIES (US) 2004-04-22 — — WO disclosed
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