SCHEMBL8097511

SCHEMBL8097511

O=C1Nc2ccc(C(F)(F)F)cc2C1(O)c1cc(Cl)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
KCNQ4 P56696 1/20 0.46
KCNMA1 Q12791 1/20 0.46
KCNQ5 Q9NR82 1/20 0.46
IDO1 P14902 2/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CHRNA7 P36544 1/20 0.43
ELOVL6 Q9H5J4 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
TMPRSS4 Q9NRS4 4/20 0.40
P2RX1 P51575 3/20 0.39
P2RX4 Q99571 2/20 0.39
P2RX7 Q99572 2/20 0.39
BRD4 O60885 2/20 0.39

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
SCHEMBL30796116 0.90 KCNQ3 (0.54) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL5857386 0.90 KCNQ3 (0.54) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL8103809 0.83 KCNQ3 (0.64) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL5858074 0.83 KMT2A (0.48) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL5981745 0.81 KMT2A (0.46) IDO1KMT2AMEN1CYP3A4CYP2C19
SCHEMBL5857467 0.80 KCNQ3 (0.41) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL7072568 0.78 KCNQ3 (0.69) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL18019010 0.78 KCNQ3 (0.69) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL5858767 0.78 KMT2A (0.43) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL5677990 0.77 IDO1 (0.45) IDO1KMT2AMEN1BRD4CBX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1076348-C 3-ketoindole derivates taken as potassium channels regulator BRISTOL MYERS SQUIBB CO LTD (US) 2001-12-19 CN disclosed
EP-0747354-B1 3-Substituted oxindole derivatives as potassium channel modulators BRISTOL MYERS SQUIBB CO (US) 2000-08-16 EP disclosed
CN-1144800-A 3-ketoindole derivates taken as potassium channels regulator BRISTOL MYERS SQUIBB CO (US) 1997-03-12 CN 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