SCHEMBL5756172

SCHEMBL5756172

O=c1[nH]ccn1-c1cc(O)c(Cn2nc(-c3ccc(C(F)(F)F)cc3)oc2=O)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
NOTUM Q6P988 2/20 0.33
GAA P10253 1/20 0.32
MARS1 P56192 1/20 0.31
CCNE1 P24864 1/20 0.30
GRK2 P25098 1/20 0.30
CDK3 Q00526 1/20 0.30
ABHD6 Q9BV23 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5756713 0.92 KMT2A (0.35) KMT2ANOTUMGAAMARS1ALDH1A1
SCHEMBL7950885 0.87 MAPT (0.36) KMT2ANOTUMGAAABHD6KDM4E
SCHEMBL5753883 0.81 KMT2A (0.41) KMT2ANOTUMGAAABHD6KDM4E
SCHEMBL7954648 0.79 GAA (0.38) KMT2ANOTUMGAAABHD6ALDH1A1
SCHEMBL5756716 0.79 KMT2A (0.35) KMT2ANOTUMGAA
SCHEMBL5752911 0.77 KMT2A (0.41) KMT2ANOTUMGAAMARS1ABHD6
SCHEMBL29572389 0.77 KMT2A (0.41) KMT2ANOTUMGAAMARS1ABHD6
SCHEMBL5756424 0.73 KMT2A (0.36) KMT2AGAAALDH1A1POLBHSD17B10
SCHEMBL7950741 0.71 TRPV1 (0.41) KMT2AABHD6KDM4EALDH1A1CYP1A2
SCHEMBL5802067 0.70 POLB (0.45) KMT2AGAAKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0915856-A4 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2006-04-12 EP 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
EP-0915856-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Bristol-Myers Squibb Company (US) 1999-05-19 EP 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
WO-1998004135-A1 DIPHENYL HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-02-05 WO disclosed