SCHEMBL8103809

SCHEMBL8103809

COc1ccc(Cl)cc1C1(O)C(=O)Nc2ccc(C(F)(F)F)cc21

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.64
KCNQ2 O43526 1/20 0.64
KCNQ4 P56696 1/20 0.64
KCNMA1 Q12791 1/20 0.64
KCNQ5 Q9NR82 1/20 0.64
KMT2A Q03164 2/20 0.47
CYP2C9 P11712 1/20 0.44
IDO1 P14902 2/20 0.43
CBX7 O95931 2/20 0.41
CDYL Q9Y232 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRD4 O60885 3/20 0.40
ELOVL6 Q9H5J4 2/20 0.39
MEN1 O00255 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
MAPT P10636 1/20 0.37
CDYL2 Q8N8U2 1/20 0.37
CDY1; CDY1B Q9Y6F8 1/20 0.37
ESRRA P11474 1/20 0.37

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
SCHEMBL5858002 0.91 KCNQ3 (0.74) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL2495455 0.90 KCNQ3 (0.51) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL2495393 0.89 KMT2A (0.57) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL2499035 0.85 KMT2A (0.53) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL2497429 0.83 CBX7 (0.52) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL8097511 0.83 KCNQ3 (0.46) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL2497604 0.83 KMT2A (0.51) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL5860255 0.82 KMT2A (0.50) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL27402562 0.81 BRD4 (0.48) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL1464565 0.81 KMT2A (0.72) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747354-B1 3-Substituted oxindole derivatives as potassium channel modulators BRISTOL MYERS SQUIBB CO (US) 2000-08-16 EP disclosed
US-5602169-A USEFUL IN REDUCING NEURONAL DAMAGE DURING ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-02-11 US disclosed
US-5565483-A ADMINISTERING AS THERAPY FOR ISCHEMIA, CONVULSIONS OR ASTHMA BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-15 US disclosed