SCHEMBL328659

SCHEMBL328659

CN(CCN(CC(N)=O)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)C(=O)Cc1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.40
TBXAS1 P24557 2/20 0.40
TBXA2R P21731 1/20 0.40
NAMPT P43490 11/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 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
SCHEMBL6863618 0.91 MMP1 (0.45) RORCTBXAS1NAMPTTDP1POLB
SCHEMBL328658 0.82 HSP90AA1 (0.41) TBXAS1TBXA2RTDP1ALDH1A1
SCHEMBL6851737 0.81 TDP1 (0.41) TDP1KMT2A
SCHEMBL328473 0.81 F13A1 (0.41)
SCHEMBL328478 0.80 LMNA (0.35)
SCHEMBL328414 0.79 DAGLA (0.37) POLBALDH1A1KMT2A
SCHEMBL328412 0.78 MMP3 (0.37) KMT2A
SCHEMBL6850285 0.78 MMP13 (0.41) RORCTBXAS1TBXA2RTDP1POLB
SCHEMBL6850664 0.78 DAGLA (0.43) POLBALDH1A1
SCHEMBL328661 0.78 KMT2A (0.38) TDP1POLBALDH1A1KMT2A

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-1511488-B1 HUMAN ADAM-10 INHIBITORS SYMPHONY EVOLUTION INC (US) 2013-05-22 EP disclosed
EP-2428509-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-03-14 EP disclosed