SCHEMBL7943970

SCHEMBL7943970

COc1ccc(Cl)cc1-n1nc(-c2cccc(C(F)(F)F)c2)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.41
GRIN2B Q13224 3/20 0.41
TYMP P19971 1/20 0.40
CYP2C9 P11712 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.39
NLRP3 Q96P20 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNMA1 Q12791 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 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
SCHEMBL7951011 0.91 LMNA (0.39) CYP2C9HTTLMNAKCNQ3KCNQ2
SCHEMBL7952535 0.89 TNKS (0.43) CYP2C9HTTLMNAKCNQ3KCNQ2
SCHEMBL5755561 0.84 MAPT (0.47) GRIN1GRIN2BTYMPCYP2C9KDM4E
SCHEMBL8385492 0.82 TNKS (0.46) TYMPRAB9AHIF1AAKR1C3AKR1C2
SCHEMBL5755396 0.78 CYP1A2 (0.50) GRIN1GRIN2BCYP2C9KDM4ECYP1A2
SCHEMBL13440269 0.76 CA12 (0.44) KDM4ESMN1; SMN2NPSR1ALDH1A1HPGD
SCHEMBL7953052 0.74 P2RX1 (0.39) GRIN1GRIN2BCYP2C9KDM4ECYP1A2
SCHEMBL7957104 0.74 ATM (0.46) CYP2C9CYP1A2CYP3A4CYP2C19KCNQ3
SCHEMBL7044889 0.73 LMNA (0.41) HTTLMNANPSR1KMT2AALDH1A1
SCHEMBL7041119 0.73 LMNA (0.43) HTTLMNANPSR1KMT2AMEN1

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
JP-11260402-A None JP disclosed
US-6271249-B1 Diphenyl imidazoles as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US disclosed
US-6077861-A MODULATORS OF THE LARGE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM (BK) CHANNELS, THEREFORE, USEFUL IN THE TREATMENT OF ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-20 US disclosed
JP-H11260402-A NONAQUEOUS ELECTROLYE BATTERY ASAHI DENKA KOGYO KK 1999-09-24 JP disclosed
US-5869509-A TREAT DISORDERS RESPONSIVE TO OPENERS OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 US disclosed